Iodobenzenes

Organic compounds considered aryl halides that consist of a phenyl group with an iodine atom substitution in the following structure: C₆H₅I.

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Thermo Scientific Chemicals Iodonitrotetrazolium violet, 95%

CAS: 146-68-9 Molecular Formula: C19H13ClIN5O2 Molecular Weight (g/mol): 505.70 MDL Number: MFCD00011961,MFCD00149999 InChI Key: JORABGDXCIBAFL-UHFFFAOYSA-M Synonym: iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride PubChem CID: 64957 ChEBI: CHEBI:75421 IUPAC Name: 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride SMILES: [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1

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PubChem CID	64957
CAS	146-68-9
Molecular Weight (g/mol)	505.70
ChEBI	CHEBI:75421
MDL Number	MFCD00011961,MFCD00149999
SMILES	[Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1
Synonym	iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride
IUPAC Name	2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride
InChI Key	JORABGDXCIBAFL-UHFFFAOYSA-M
Molecular Formula	C19H13ClIN5O2

Iodobenzene, 98%

CAS: 591-50-4 Molecular Formula: C6H5I Molecular Weight (g/mol): 204.01 MDL Number: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Synonym: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1

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PubChem CID	11575
CAS	591-50-4
Molecular Weight (g/mol)	204.01
MDL Number	MFCD00001029
SMILES	IC1=CC=CC=C1
Synonym	benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene
IUPAC Name	iodobenzene
InChI Key	SNHMUERNLJLMHN-UHFFFAOYSA-N
Molecular Formula	C6H5I

1-Iodo-4-nitrobenzene, 98+%

CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

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Specifications

PubChem CID	12495
CAS	636-98-6
Molecular Weight (g/mol)	249.007
MDL Number	MFCD00007299
SMILES	C1=CC(=CC=C1[N+](=O)[O-])I
Synonym	benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene
IUPAC Name	1-iodo-4-nitrobenzene
InChI Key	SCCCFNJTCDSLCY-UHFFFAOYSA-N
Molecular Formula	C6H4INO2

1-Bromo-3-iodobenzene, 98%

CAS: 591-18-4 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.91 MDL Number: MFCD00001043 InChI Key: CTPUUDQIXKUAMO-UHFFFAOYSA-N Synonym: 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene PubChem CID: 11561 IUPAC Name: 1-bromo-3-iodobenzene SMILES: BrC1=CC=CC(I)=C1

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Specifications

PubChem CID	11561
CAS	591-18-4
Molecular Weight (g/mol)	282.91
MDL Number	MFCD00001043
SMILES	BrC1=CC=CC(I)=C1
Synonym	3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene
IUPAC Name	1-bromo-3-iodobenzene
InChI Key	CTPUUDQIXKUAMO-UHFFFAOYSA-N
Molecular Formula	C6H4BrI

1-Iodo-2,4-dimethoxybenzene, 97%

CAS: 20469-63-0 Molecular Formula: C8H9IO2 Molecular Weight (g/mol): 264.062 MDL Number: MFCD00059268 InChI Key: ZDUYJCKEORTAQE-UHFFFAOYSA-N Synonym: 2,4-dimethoxyiodobenzene,2,4-dimethoxy-1-iodobenzene,1,3-dimethoxy-4-iodobenzene,1-iodo-2,4-dimethoxy-benzene,benzene, 1-iodo-2,4-dimethoxy,4-iodo-1,3-dimethoxybenzene,pubchem3053,4-iodo-3-methoxy anisole,dimethoxyiodobenzene,cambridge id 5107587 PubChem CID: 140694 IUPAC Name: 1-iodo-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)I)OC

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Specifications

PubChem CID	140694
CAS	20469-63-0
Molecular Weight (g/mol)	264.062
MDL Number	MFCD00059268
SMILES	COC1=CC(=C(C=C1)I)OC
Synonym	2,4-dimethoxyiodobenzene,2,4-dimethoxy-1-iodobenzene,1,3-dimethoxy-4-iodobenzene,1-iodo-2,4-dimethoxy-benzene,benzene, 1-iodo-2,4-dimethoxy,4-iodo-1,3-dimethoxybenzene,pubchem3053,4-iodo-3-methoxy anisole,dimethoxyiodobenzene,cambridge id 5107587
IUPAC Name	1-iodo-2,4-dimethoxybenzene
InChI Key	ZDUYJCKEORTAQE-UHFFFAOYSA-N
Molecular Formula	C8H9IO2

2-Iodoanisole, 99%

CAS: 529-28-2 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001039 InChI Key: DVQWNQBEUKXONL-UHFFFAOYSA-N Synonym: 2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene PubChem CID: 68257 ChEBI: CHEBI:16355 IUPAC Name: 1-iodo-2-methoxybenzene SMILES: COC1=CC=CC=C1I

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Specifications

PubChem CID	68257
CAS	529-28-2
Molecular Weight (g/mol)	234.036
ChEBI	CHEBI:16355
MDL Number	MFCD00001039
SMILES	COC1=CC=CC=C1I
Synonym	2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene
IUPAC Name	1-iodo-2-methoxybenzene
InChI Key	DVQWNQBEUKXONL-UHFFFAOYSA-N
Molecular Formula	C7H7IO

1-Iodo-2,4-dinitrobenzene, 98%

CAS: 709-49-9 Molecular Formula: C6H3IN2O4 Molecular Weight (g/mol): 294.004 MDL Number: MFCD00039738 InChI Key: FXMKXMJLXRTQSW-UHFFFAOYSA-N Synonym: 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol PubChem CID: 69730 ChEBI: CHEBI:59000 IUPAC Name: 1-iodo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I

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Specifications

PubChem CID	69730
CAS	709-49-9
Molecular Weight (g/mol)	294.004
ChEBI	CHEBI:59000
MDL Number	MFCD00039738
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I
Synonym	2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol
IUPAC Name	1-iodo-2,4-dinitrobenzene
InChI Key	FXMKXMJLXRTQSW-UHFFFAOYSA-N
Molecular Formula	C6H3IN2O4

4-Iodobenzeneboronic acid, 97%

CAS: 5122-99-6 Molecular Formula: C6H6BIO2 Molecular Weight (g/mol): 247.83 MDL Number: MFCD01319014 InChI Key: PELJYVULHLKXFF-UHFFFAOYSA-N Synonym: 4-iodophenyl boronic acid,4-iodobenzeneboronic acid,p-iodophenylboronic acid,4-iodophenylboronicacid,p-iodobenzeneboronic acid,p-iodophenyl boronic acid,boronic acid, 4-iodophenyl,4-boronoiodobenzene,pubchem6160,pubchem11574 PubChem CID: 151254 IUPAC Name: (4-iodophenyl)boronic acid SMILES: OB(O)C1=CC=C(I)C=C1

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Specifications

PubChem CID	151254
CAS	5122-99-6
Molecular Weight (g/mol)	247.83
MDL Number	MFCD01319014
SMILES	OB(O)C1=CC=C(I)C=C1
Synonym	4-iodophenyl boronic acid,4-iodobenzeneboronic acid,p-iodophenylboronic acid,4-iodophenylboronicacid,p-iodobenzeneboronic acid,p-iodophenyl boronic acid,boronic acid, 4-iodophenyl,4-boronoiodobenzene,pubchem6160,pubchem11574
IUPAC Name	(4-iodophenyl)boronic acid
InChI Key	PELJYVULHLKXFF-UHFFFAOYSA-N
Molecular Formula	C6H6BIO2

Diphenyliodonium hexafluorophosphate, 98%

CAS: 58109-40-3 Molecular Formula: C12H10I Molecular Weight (g/mol): 281.12 MDL Number: MFCD00061398 InChI Key: OZLBDYMWFAHSOQ-UHFFFAOYSA-N Synonym: diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide PubChem CID: 2737136 IUPAC Name: diphenyliodanium SMILES: [I+](C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2737136
CAS	58109-40-3
Molecular Weight (g/mol)	281.12
MDL Number	MFCD00061398
SMILES	[I+](C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide
IUPAC Name	diphenyliodanium
InChI Key	OZLBDYMWFAHSOQ-UHFFFAOYSA-N
Molecular Formula	C12H10I

4-Iodoanisole, 98+%

CAS: 696-62-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001056 InChI Key: SYSZENVIJHPFNL-UHFFFAOYSA-N Synonym: 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene PubChem CID: 69676 IUPAC Name: 1-iodo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)I

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Specifications

PubChem CID	69676
CAS	696-62-8
Molecular Weight (g/mol)	234.036
MDL Number	MFCD00001056
SMILES	COC1=CC=C(C=C1)I
Synonym	4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene
IUPAC Name	1-iodo-4-methoxybenzene
InChI Key	SYSZENVIJHPFNL-UHFFFAOYSA-N
Molecular Formula	C7H7IO

1-Iodo-4-(trifluoromethoxy)benzene, 98%

CAS: 103962-05-6 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD00042411 InChI Key: RTUDBROGOZBBIC-UHFFFAOYSA-N Synonym: 1-iodo-4-trifluoromethoxy benzene,4-trifluoromethoxy iodobenzene,4-iodotrifluoromethoxybenzene,1-iado-4-trifluoromethoxy benzene,p-trifluoromethoxy iodobenzene,4-trifluoromethoxy-iodobenzene,1-iodo-4-trifluoromethoxy-benzene,benzene, 1-iodo-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4-iodoanisole,4-iodo-alpha,alpha,alpha-trifluoromethoxybenzene PubChem CID: 2777294 IUPAC Name: 1-iodo-4-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=C(I)C=C1

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Specifications

PubChem CID	2777294
CAS	103962-05-6
Molecular Weight (g/mol)	288.01
MDL Number	MFCD00042411
SMILES	FC(F)(F)OC1=CC=C(I)C=C1
Synonym	1-iodo-4-trifluoromethoxy benzene,4-trifluoromethoxy iodobenzene,4-iodotrifluoromethoxybenzene,1-iado-4-trifluoromethoxy benzene,p-trifluoromethoxy iodobenzene,4-trifluoromethoxy-iodobenzene,1-iodo-4-trifluoromethoxy-benzene,benzene, 1-iodo-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4-iodoanisole,4-iodo-alpha,alpha,alpha-trifluoromethoxybenzene
IUPAC Name	1-iodo-4-(trifluoromethoxy)benzene
InChI Key	RTUDBROGOZBBIC-UHFFFAOYSA-N
Molecular Formula	C7H4F3IO

[Bis(trifluoroacetoxy)iodo]benzene, 97%

CAS: 2712-78-9 Molecular Formula: C10H5F6IO4 Molecular Weight (g/mol): 430.041 MDL Number: MFCD00009672 InChI Key: PEZNEXFPRSOYPL-UHFFFAOYSA-N Synonym: bis trifluoroacetoxy iodo benzene,pifa,unii-659sfv27xs,bis-trifluoroacetoxyiodobenzene,phenylbis trifluoroacetato-o iodine,bis i,i-trifluoroacetoxy iodobenzene,iodine, phenylbis trifluoroacetato-o,bis trifluoracetoxy-iodobenzene,bis trifluoroacetoxy phenyl iodane PubChem CID: 102317 IUPAC Name: [phenyl-(2,2,2-trifluoroacetyl)oxy-$l^{3}-iodanyl] 2,2,2-trifluoroacetate SMILES: C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

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Specifications

PubChem CID	102317
CAS	2712-78-9
Molecular Weight (g/mol)	430.041
MDL Number	MFCD00009672
SMILES	C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Synonym	bis trifluoroacetoxy iodo benzene,pifa,unii-659sfv27xs,bis-trifluoroacetoxyiodobenzene,phenylbis trifluoroacetato-o iodine,bis i,i-trifluoroacetoxy iodobenzene,iodine, phenylbis trifluoroacetato-o,bis trifluoracetoxy-iodobenzene,bis trifluoroacetoxy phenyl iodane
IUPAC Name	[phenyl-(2,2,2-trifluoroacetyl)oxy-$l^{3}-iodanyl] 2,2,2-trifluoroacetate
InChI Key	PEZNEXFPRSOYPL-UHFFFAOYSA-N
Molecular Formula	C10H5F6IO4

4-Iodophenyl isothiocyanate, 97%

CAS: 2059-76-9 Molecular Formula: C7H4INS Molecular Weight (g/mol): 261.08 MDL Number: MFCD00041091 InChI Key: SNLGBRZZFRSXHA-UHFFFAOYSA-N Synonym: 4-iodophenyl isothiocyanate,4-iodophenylisothiocyanate,1-iodo-4-isothiocyanato-benzene,benzene, 1-iodo-4-isothiocyanato,4-ipitc,acmc-20amg6,4-iodobenzenisothiocyanate,1-isothiocyanato-4-iodobenzene,#,benzene,1-iodo-4-isothiocyanato PubChem CID: 74938 IUPAC Name: 1-iodo-4-isothiocyanatobenzene SMILES: IC1=CC=C(C=C1)N=C=S

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Specifications

PubChem CID	74938
CAS	2059-76-9
Molecular Weight (g/mol)	261.08
MDL Number	MFCD00041091
SMILES	IC1=CC=C(C=C1)N=C=S
Synonym	4-iodophenyl isothiocyanate,4-iodophenylisothiocyanate,1-iodo-4-isothiocyanato-benzene,benzene, 1-iodo-4-isothiocyanato,4-ipitc,acmc-20amg6,4-iodobenzenisothiocyanate,1-isothiocyanato-4-iodobenzene,#,benzene,1-iodo-4-isothiocyanato
IUPAC Name	1-iodo-4-isothiocyanatobenzene
InChI Key	SNLGBRZZFRSXHA-UHFFFAOYSA-N
Molecular Formula	C7H4INS

1,2-Difluoro-4-iodobenzene, 99%

CAS: 64248-58-4 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD00044630 InChI Key: KSASJELKLBIMSG-UHFFFAOYSA-N Synonym: 3,4-difluoroiodobenzene,1,2-difluoro-4-iodo-benzene,benzene, 1,2-difluoro-4-iodo,3,4-difluoro iodobenzene,pubchem3461,3,4-difluoro-iodobenzene,3,4-difluorophenyl iodide,3,4-difluoro-1-iodobenzene,1-iodo-3,4-difluoro-benzene PubChem CID: 2724444 IUPAC Name: 1,2-difluoro-4-iodobenzene SMILES: FC1=C(F)C=C(I)C=C1

Pricing and Availability
Specifications

PubChem CID	2724444
CAS	64248-58-4
Molecular Weight (g/mol)	239.99
MDL Number	MFCD00044630
SMILES	FC1=C(F)C=C(I)C=C1
Synonym	3,4-difluoroiodobenzene,1,2-difluoro-4-iodo-benzene,benzene, 1,2-difluoro-4-iodo,3,4-difluoro iodobenzene,pubchem3461,3,4-difluoro-iodobenzene,3,4-difluorophenyl iodide,3,4-difluoro-1-iodobenzene,1-iodo-3,4-difluoro-benzene
IUPAC Name	1,2-difluoro-4-iodobenzene
InChI Key	KSASJELKLBIMSG-UHFFFAOYSA-N
Molecular Formula	C6H3F2I

4-Iodoaniline, 98%

CAS: 540-37-4 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.025 MDL Number: MFCD00007848 InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N Synonym: p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine PubChem CID: 10893 IUPAC Name: 4-iodoaniline SMILES: C1=CC(=CC=C1N)I

Pricing and Availability
Specifications

PubChem CID	10893
CAS	540-37-4
Molecular Weight (g/mol)	219.025
MDL Number	MFCD00007848
SMILES	C1=CC(=CC=C1N)I
Synonym	p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine
IUPAC Name	4-iodoaniline
InChI Key	VLVCDUSVTXIWGW-UHFFFAOYSA-N
Molecular Formula	C6H6IN

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