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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

4-[4-(tert-Butyl)-1,3-thiazol-2-yl]benzaldehyde, 97%, Thermo Scientific™

CAS: 175202-78-5 Molecular Formula: C14H15NOS Molecular Weight (g/mol): 245.34 MDL Number: MFCD00084914 InChI Key: IIKIVYFYAIKVBC-UHFFFAOYSA-N Synonym: 4-4-tert-butyl-1,3-thiazol-2-yl benzaldehyde,benzaldehyde,4-4-1,1-dimethylethyl-2-thiazolyl,4-tert-butyl-2-4-formylphenyl thiazole,4-4-tert-butyl-2-thiazolyl benzaldehyde,4-4-tert-butylthiazol-2-yl benzaldehyde,4-4-tert-butyl thiazol-2-yl benzaldehyde PubChem CID: 2778859 IUPAC Name: 4-(4-tert-butyl-1,3-thiazol-2-yl)benzaldehyde SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=O

PubChem CID 2778859
CAS 175202-78-5
Molecular Weight (g/mol) 245.34
MDL Number MFCD00084914
SMILES CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=O
Synonym 4-4-tert-butyl-1,3-thiazol-2-yl benzaldehyde,benzaldehyde,4-4-1,1-dimethylethyl-2-thiazolyl,4-tert-butyl-2-4-formylphenyl thiazole,4-4-tert-butyl-2-thiazolyl benzaldehyde,4-4-tert-butylthiazol-2-yl benzaldehyde,4-4-tert-butyl thiazol-2-yl benzaldehyde
IUPAC Name 4-(4-tert-butyl-1,3-thiazol-2-yl)benzaldehyde
InChI Key IIKIVYFYAIKVBC-UHFFFAOYSA-N
Molecular Formula C14H15NOS
2

[2-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 478189-93-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064960 InChI Key: RMRHXMQGVDIPCL-UHFFFAOYSA-N Synonym: 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 22932192 IUPAC Name: [2-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=CC=C2CO

PubChem CID 22932192
CAS 478189-93-4
Molecular Weight (g/mol) 208.257
MDL Number MFCD09064960
SMILES C1COCCC1OC2=CC=CC=C2CO
Synonym 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name [2-(oxan-4-yloxy)phenyl]methanol
InChI Key RMRHXMQGVDIPCL-UHFFFAOYSA-N
Molecular Formula C12H16O3
3

(3-Thien-2-ylphenyl)methylamine, ≥97%, Thermo Scientific™

CAS: 859850-86-5 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08435868 InChI Key: PZXHYHVAVDOMOR-UHFFFAOYSA-N Synonym: 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl PubChem CID: 18525771 IUPAC Name: (3-thiophen-2-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CC=CS2

PubChem CID 18525771
CAS 859850-86-5
Molecular Weight (g/mol) 189.276
MDL Number MFCD08435868
SMILES C1=CC(=CC(=C1)CN)C2=CC=CS2
Synonym 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl
IUPAC Name (3-thiophen-2-ylphenyl)methanamine
InChI Key PZXHYHVAVDOMOR-UHFFFAOYSA-N
Molecular Formula C11H11NS
4

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
7

[1-(Phenylsulfonyl)-1H-indol-3-yl]methanol, ≥97%, Thermo Scientific™

CAS: 89241-33-8 Molecular Formula: C15H13NO3S Molecular Weight (g/mol): 287.333 MDL Number: MFCD02682024 InChI Key: ZMLXSFMIPYDHIN-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol PubChem CID: 2776213 IUPAC Name: [1-(benzenesulfonyl)indol-3-yl]methanol SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO

PubChem CID 2776213
CAS 89241-33-8
Molecular Weight (g/mol) 287.333
MDL Number MFCD02682024
SMILES C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO
Synonym 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol
IUPAC Name [1-(benzenesulfonyl)indol-3-yl]methanol
InChI Key ZMLXSFMIPYDHIN-UHFFFAOYSA-N
Molecular Formula C15H13NO3S
8

[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride, 90%, Thermo Scientific™

CAS: 127162-96-3 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.639 MDL Number: MFCD01631926 InChI Key: WIGCBGFBBRJTLS-UHFFFAOYSA-N Synonym: 3-trifluoromethylbenzylsulfonyl chloride,3-trifluoromethyl phenyl methanesulfonyl chloride,3-trifluoromethylbenzylsulfonylchloride,3-trifluoromethyl phenyl methyl sulfonyl chloride,3-chlorosulphonyl methyl benzotrifluoride,3-trifluoromethyl phenylmethanesulfonyl chloride,3-trifluoromethyl phenyl methylsulphonyl chloride,3-trifluoromethyl benzylsulphonyl chloride,3-trifluoromethyl phenyl methyl sulfonylchloride PubChem CID: 2794646 IUPAC Name: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)Cl

PubChem CID 2794646
CAS 127162-96-3
Molecular Weight (g/mol) 258.639
MDL Number MFCD01631926
SMILES C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)Cl
Synonym 3-trifluoromethylbenzylsulfonyl chloride,3-trifluoromethyl phenyl methanesulfonyl chloride,3-trifluoromethylbenzylsulfonylchloride,3-trifluoromethyl phenyl methyl sulfonyl chloride,3-chlorosulphonyl methyl benzotrifluoride,3-trifluoromethyl phenylmethanesulfonyl chloride,3-trifluoromethyl phenyl methylsulphonyl chloride,3-trifluoromethyl benzylsulphonyl chloride,3-trifluoromethyl phenyl methyl sulfonylchloride
IUPAC Name [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI Key WIGCBGFBBRJTLS-UHFFFAOYSA-N
Molecular Formula C8H6ClF3O2S
9

4-(tert-Butyl)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 19241-24-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00022059 InChI Key: OCGNNCBNRBTUCG-UHFFFAOYSA-N PubChem CID: 140503 IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S

PubChem CID 140503
CAS 19241-24-8
Molecular Weight (g/mol) 191.292
MDL Number MFCD00022059
SMILES CC(C)(C)C1=CC=C(C=C1)N=C=S
IUPAC Name 1-tert-butyl-4-isothiocyanatobenzene
InChI Key OCGNNCBNRBTUCG-UHFFFAOYSA-N
Molecular Formula C11H13NS
11

5-(3-Bromophenyl)-1-methyl-1H-pyrazole, 97%, Thermo Scientific™

CAS: 425379-69-7 Molecular Formula: C10H9BrN2 Molecular Weight (g/mol): 237.1 MDL Number: MFCD09065005 InChI Key: RIYUQLBSAMXENJ-UHFFFAOYSA-N Synonym: 5-3-bromophenyl-1-methyl-1h-pyrazole,5-3-bromophenyl-1-methylpyrazole,1h-pyrazole,5-3-bromophenyl-1-methyl PubChem CID: 22329560 IUPAC Name: 5-(3-bromophenyl)-1-methylpyrazole SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)Br

PubChem CID 22329560
CAS 425379-69-7
Molecular Weight (g/mol) 237.1
MDL Number MFCD09065005
SMILES CN1C(=CC=N1)C2=CC(=CC=C2)Br
Synonym 5-3-bromophenyl-1-methyl-1h-pyrazole,5-3-bromophenyl-1-methylpyrazole,1h-pyrazole,5-3-bromophenyl-1-methyl
IUPAC Name 5-(3-bromophenyl)-1-methylpyrazole
InChI Key RIYUQLBSAMXENJ-UHFFFAOYSA-N
Molecular Formula C10H9BrN2
12

3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 628297-55-2 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD09702398 InChI Key: OBOMYSVFLSMYLV-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-5-yl benzoic acid,3-2-methylpyrazol-3-yl benzoic acid,3-1-methylpyrazol-5-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-5-yl,benzoicacid, 3-1-methyl-1h-pyrazol-5-yl,benzoic acid, 3-1-methyl-1h-pyrazol-5-yl PubChem CID: 18548847 IUPAC Name: 3-(2-methylpyrazol-3-yl)benzoic acid SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O

PubChem CID 18548847
CAS 628297-55-2
Molecular Weight (g/mol) 202.213
MDL Number MFCD09702398
SMILES CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O
Synonym 3-1-methyl-1h-pyrazol-5-yl benzoic acid,3-2-methylpyrazol-3-yl benzoic acid,3-1-methylpyrazol-5-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-5-yl,benzoicacid, 3-1-methyl-1h-pyrazol-5-yl,benzoic acid, 3-1-methyl-1h-pyrazol-5-yl
IUPAC Name 3-(2-methylpyrazol-3-yl)benzoic acid
InChI Key OBOMYSVFLSMYLV-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
13

2-Chloro-6-phenoxybenzylamine, ≥95%, Thermo Scientific™

CAS: 175136-89-7 Molecular Formula: C13H12ClNO Molecular Weight (g/mol): 233.70 MDL Number: MFCD00052915 InChI Key: SNTOZVXKDWQFEW-UHFFFAOYSA-N Synonym: 2-chloro-6-phenoxybenzylamine,2-chloro-6-phenoxyphenyl methanamine,1-2-chloro-6-phenoxyphenyl methanamine,rarechem al bw 1398,d0x2jg,2-chloro-6-phenoxy-benzylamine,2-aminomethyl-3-chlorodiphenylether,6-chloro-2-phenoxyphenyl methylamine,2-chloro-6-phenoxybenzylamine, 95+%,benzenemethanamine,2-chloro-6-phenoxy PubChem CID: 2777206 SMILES: NCC1=C(OC2=CC=CC=C2)C=CC=C1Cl

PubChem CID 2777206
CAS 175136-89-7
Molecular Weight (g/mol) 233.70
MDL Number MFCD00052915
SMILES NCC1=C(OC2=CC=CC=C2)C=CC=C1Cl
Synonym 2-chloro-6-phenoxybenzylamine,2-chloro-6-phenoxyphenyl methanamine,1-2-chloro-6-phenoxyphenyl methanamine,rarechem al bw 1398,d0x2jg,2-chloro-6-phenoxy-benzylamine,2-aminomethyl-3-chlorodiphenylether,6-chloro-2-phenoxyphenyl methylamine,2-chloro-6-phenoxybenzylamine, 95+%,benzenemethanamine,2-chloro-6-phenoxy
InChI Key SNTOZVXKDWQFEW-UHFFFAOYSA-N
Molecular Formula C13H12ClNO
15

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