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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Phenylmethylamines (241)
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1 – 15 of 572 results
1

2-Nitrobenzaldehyde, 97%, Thermo Scientific™

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

PubChem CID 11101
CAS 552-89-6
Molecular Weight (g/mol) 151.121
ChEBI CHEBI:66927
MDL Number MFCD00007132
SMILES C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name 2-nitrobenzaldehyde
InChI Key CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula C7H5NO3
2

3,5-dibromobenzamide, Thermo Scientific™

CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzoic acid amide,acmc-20andi,3,5-dibromo-benzamide,maybridge1_007750,3,5-bis bromanyl benzamide,3,5-dibromobenzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N

PubChem CID 2735937
CAS 175205-85-3
Molecular Weight (g/mol) 278.931
SMILES C1=C(C=C(C=C1Br)Br)C(=O)N
Synonym 3,5-dibromo-benzoic acid amide,acmc-20andi,3,5-dibromo-benzamide,maybridge1_007750,3,5-bis bromanyl benzamide,3,5-dibromobenzamide
IUPAC Name 3,5-dibromobenzamide
InChI Key IOFGMNBDIDEBIQ-UHFFFAOYSA-N
Molecular Formula C7H5Br2NO
3

4-bromobenzaldehyde, Thermo Scientific™

CAS: 1122-91-4 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 InChI Key: ZRYZBQLXDKPBDU-UHFFFAOYSA-N Synonym: p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd PubChem CID: 70741 IUPAC Name: 4-bromobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Br

PubChem CID 70741
CAS 1122-91-4
Molecular Weight (g/mol) 185.02
SMILES C1=CC(=CC=C1C=O)Br
Synonym p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd
IUPAC Name 4-bromobenzaldehyde
InChI Key ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Molecular Formula C7H5BrO
4

ethyle3,5-dichlorobenzoate, 97%, Thermo Scientific™

CAS: 91085-56-2 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.06 MDL Number: MFCD00221467 InChI Key: JRLNLVFPSMDPLU-UHFFFAOYSA-N Synonym: ethyl3,5-dichlorobenzoate,3,5-dichlorobenzoic acid ethyl ester,rarechem al bi 0057,5-ethoxycarbonyl-1,3-dichlorobenzene,benzoic acid, 3,5-dichloro-, ethyl ester,pubchem10323,ethyl 3,5-dichloro benzoate,ethyl 3,5-bis chloranyl benzoate,3,5-dichlorobenzoic acid ethyl etster PubChem CID: 2736404 IUPAC Name: ethyl 3,5-dichlorobenzoate SMILES: CCOC(=O)C1=CC(Cl)=CC(Cl)=C1

PubChem CID 2736404
CAS 91085-56-2
Molecular Weight (g/mol) 219.06
MDL Number MFCD00221467
SMILES CCOC(=O)C1=CC(Cl)=CC(Cl)=C1
Synonym ethyl3,5-dichlorobenzoate,3,5-dichlorobenzoic acid ethyl ester,rarechem al bi 0057,5-ethoxycarbonyl-1,3-dichlorobenzene,benzoic acid, 3,5-dichloro-, ethyl ester,pubchem10323,ethyl 3,5-dichloro benzoate,ethyl 3,5-bis chloranyl benzoate,3,5-dichlorobenzoic acid ethyl etster
IUPAC Name ethyl 3,5-dichlorobenzoate
InChI Key JRLNLVFPSMDPLU-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O2
5

4-isopropylphenyl isothiocyanate, Thermo Scientific™

CAS: 89007-45-4 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.27 MDL Number: MFCD00022060 InChI Key: SNWJJTIJIDXIHL-UHFFFAOYSA-N Synonym: 4-isopropylphenyl isothiocyanate,1-isopropyl-4-isothiocyanatobenzene,4-isopropylphenylisothiocyanate,1-isothiocyanato-4-propan-2-yl benzene,4-methylethyl benzenisothiocyanate,acmc-20amft,4isopropylphenylisothiocyanate,4-iso-propylphenyl isothiocyanate,1-isopropyl-4-isothiocyanato-benzene,1-isopropyl-4-isothiocyanatobenzene # PubChem CID: 145194 IUPAC Name: 1-isothiocyanato-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)N=C=S

PubChem CID 145194
CAS 89007-45-4
Molecular Weight (g/mol) 177.27
MDL Number MFCD00022060
SMILES CC(C)C1=CC=C(C=C1)N=C=S
Synonym 4-isopropylphenyl isothiocyanate,1-isopropyl-4-isothiocyanatobenzene,4-isopropylphenylisothiocyanate,1-isothiocyanato-4-propan-2-yl benzene,4-methylethyl benzenisothiocyanate,acmc-20amft,4isopropylphenylisothiocyanate,4-iso-propylphenyl isothiocyanate,1-isopropyl-4-isothiocyanato-benzene,1-isopropyl-4-isothiocyanatobenzene #
IUPAC Name 1-isothiocyanato-4-propan-2-ylbenzene
InChI Key SNWJJTIJIDXIHL-UHFFFAOYSA-N
Molecular Formula C10H11NS
6

4-phenylbutyl isothiocyanate, Thermo Scientific™

CAS: 61499-10-3 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00052335 InChI Key: CCBQOLFAKKAMLD-UHFFFAOYSA-N Synonym: 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci PubChem CID: 124881 IUPAC Name: 4-isothiocyanatobutylbenzene SMILES: C1=CC=C(C=C1)CCCCN=C=S

PubChem CID 124881
CAS 61499-10-3
Molecular Weight (g/mol) 191.292
MDL Number MFCD00052335
SMILES C1=CC=C(C=C1)CCCCN=C=S
Synonym 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci
IUPAC Name 4-isothiocyanatobutylbenzene
InChI Key CCBQOLFAKKAMLD-UHFFFAOYSA-N
Molecular Formula C11H13NS
7

(3,5-dichlorophenyl)methanol, Thermo Scientific™

CAS: 60211-57-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 InChI Key: VSNNLLQKDRCKCB-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908 PubChem CID: 43236 IUPAC Name: (3,5-dichlorophenyl)methanol SMILES: C1=C(C=C(C=C1Cl)Cl)CO

PubChem CID 43236
CAS 60211-57-6
Molecular Weight (g/mol) 177.024
SMILES C1=C(C=C(C=C1Cl)Cl)CO
Synonym 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908
IUPAC Name (3,5-dichlorophenyl)methanol
InChI Key VSNNLLQKDRCKCB-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
8

isopropyl 2-bromobenzoate, Thermo Scientific™

CAS: 59247-52-8 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 InChI Key: QTCRCHHNKWSPHB-UHFFFAOYSA-N PubChem CID: 603261 IUPAC Name: propan-2-yl 2-bromobenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1Br

PubChem CID 603261
CAS 59247-52-8
Molecular Weight (g/mol) 243.1
SMILES CC(C)OC(=O)C1=CC=CC=C1Br
IUPAC Name propan-2-yl 2-bromobenzoate
InChI Key QTCRCHHNKWSPHB-UHFFFAOYSA-N
Molecular Formula C10H11BrO2
9

(3-chlorophenyl)methanol, Thermo Scientific™

CAS: 873-63-2 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 InChI Key: ZSRDNPVYGSFUMD-UHFFFAOYSA-N Synonym: 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt PubChem CID: 70117 IUPAC Name: (3-chlorophenyl)methanol SMILES: C1=CC(=CC(=C1)Cl)CO

PubChem CID 70117
CAS 873-63-2
Molecular Weight (g/mol) 142.582
SMILES C1=CC(=CC(=C1)Cl)CO
Synonym 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt
IUPAC Name (3-chlorophenyl)methanol
InChI Key ZSRDNPVYGSFUMD-UHFFFAOYSA-N
Molecular Formula C7H7ClO
10

2-Amino-4-methylbenzamide, Thermo Scientific™

CAS: 39549-79-6 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00221474 InChI Key: RUHKZVAPXHIWJH-UHFFFAOYSA-N Synonym: 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci PubChem CID: 2801474 IUPAC Name: 2-amino-4-methylbenzamide SMILES: CC1=CC(N)=C(C=C1)C(N)=O

PubChem CID 2801474
CAS 39549-79-6
Molecular Weight (g/mol) 150.18
MDL Number MFCD00221474
SMILES CC1=CC(N)=C(C=C1)C(N)=O
Synonym 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci
IUPAC Name 2-amino-4-methylbenzamide
InChI Key RUHKZVAPXHIWJH-UHFFFAOYSA-N
Molecular Formula C8H10N2O
11

3-(chloromethyl)benzamide, 97%, Thermo Scientific™

CAS: 135654-16-9 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.608 MDL Number: MFCD00175948 InChI Key: OOYATKQQGVPYQR-UHFFFAOYSA-N Synonym: 3-chloromethyl benzamide,benzamide,3-chloromethyl,benzamide, 3-chloromethyl-9ci,3-chloromethyl-benzamide,3-carbamoylbenzyl chloride,acmc-20a41t,3-aminocarbonyl benzyl chloride,3-carbamoylbenzyl chloride, 3-aminocarbonyl benzyl chloride PubChem CID: 737145 IUPAC Name: 3-(chloromethyl)benzamide SMILES: C1=CC(=CC(=C1)CCl)C(=O)N

PubChem CID 737145
CAS 135654-16-9
Molecular Weight (g/mol) 169.608
MDL Number MFCD00175948
SMILES C1=CC(=CC(=C1)CCl)C(=O)N
Synonym 3-chloromethyl benzamide,benzamide,3-chloromethyl,benzamide, 3-chloromethyl-9ci,3-chloromethyl-benzamide,3-carbamoylbenzyl chloride,acmc-20a41t,3-aminocarbonyl benzyl chloride,3-carbamoylbenzyl chloride, 3-aminocarbonyl benzyl chloride
IUPAC Name 3-(chloromethyl)benzamide
InChI Key OOYATKQQGVPYQR-UHFFFAOYSA-N
Molecular Formula C8H8ClNO
12

3-Phenoxybenzylamine hydrochloride, 97%, Thermo Scientific™

CAS: 376637-85-3 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 MDL Number: MFCD07781045 InChI Key: WMFHUUKYIUOHRA-UHFFFAOYSA-N Synonym: 3-phenoxybenzylamine hydrochloride,3-phenoxyphenyl methylamine hydrochloride,3-phenoxy-benzylamine hydrochloride,3-phenoxyphenyl methylamine hcl,3-phenoxyphenyl methanamine hydrochloride,3-phenoxybenzyl amine hydrochloride,1-3-phenoxyphenyl methanamine hydrochloride,3-phenoxyphenyl methylamine, chloride,1-3-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 17749849 IUPAC Name: (3-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CN.Cl

PubChem CID 17749849
CAS 376637-85-3
Molecular Weight (g/mol) 235.711
MDL Number MFCD07781045
SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)CN.Cl
Synonym 3-phenoxybenzylamine hydrochloride,3-phenoxyphenyl methylamine hydrochloride,3-phenoxy-benzylamine hydrochloride,3-phenoxyphenyl methylamine hcl,3-phenoxyphenyl methanamine hydrochloride,3-phenoxybenzyl amine hydrochloride,1-3-phenoxyphenyl methanamine hydrochloride,3-phenoxyphenyl methylamine, chloride,1-3-phenoxyphenyl methanamine-hydrogen chloride 1/1
IUPAC Name (3-phenoxyphenyl)methanamine;hydrochloride
InChI Key WMFHUUKYIUOHRA-UHFFFAOYSA-N
Molecular Formula C13H14ClNO
13

4-Iodophenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 2059-76-9 Molecular Formula: C7H4INS Molecular Weight (g/mol): 261.08 MDL Number: MFCD00041091 InChI Key: SNLGBRZZFRSXHA-UHFFFAOYSA-N PubChem CID: 74938 IUPAC Name: 1-iodo-4-isothiocyanatobenzene SMILES: IC1=CC=C(C=C1)N=C=S

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
IUPAC Name 1-iodo-4-isothiocyanatobenzene
InChI Key SNLGBRZZFRSXHA-UHFFFAOYSA-N
Molecular Formula C7H4INS
14

4-Pentylbenzoic acid, 97%, Thermo Scientific™

CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O

PubChem CID 33479
CAS 26311-45-5
Molecular Weight (g/mol) 192.258
MDL Number MFCD00002572
SMILES CCCCCC1=CC=C(C=C1)C(=O)O
Synonym benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid
IUPAC Name 4-pentylbenzoic acid
InChI Key CWYNKKGQJYAHQG-UHFFFAOYSA-N
Molecular Formula C12H16O2
15

2-Phenoxybenzoyl chloride, TECH, Thermo Scientific™

CAS: 40501-36-8 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 MDL Number: MFCD03424711 InChI Key: BMGKQFRMINVVPP-UHFFFAOYSA-N Synonym: benzoylchloride, 2-phenoxy,phenoxybenzoyl chloride,2-phenoxy benzoyl chloride,2-phenoxy-benzoyl chloride,benzoyl chloride, 2-phenoxy,2-phenoxybenzoic acid chloride,2-chlorocarbonyl diphenyl ether PubChem CID: 11075303 IUPAC Name: 2-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)Cl

PubChem CID 11075303
CAS 40501-36-8
Molecular Weight (g/mol) 232.663
MDL Number MFCD03424711
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)Cl
Synonym benzoylchloride, 2-phenoxy,phenoxybenzoyl chloride,2-phenoxy benzoyl chloride,2-phenoxy-benzoyl chloride,benzoyl chloride, 2-phenoxy,2-phenoxybenzoic acid chloride,2-chlorocarbonyl diphenyl ether
IUPAC Name 2-phenoxybenzoyl chloride
InChI Key BMGKQFRMINVVPP-UHFFFAOYSA-N
Molecular Formula C13H9ClO2