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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.
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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

4-(thien-2-ylmethyl)benzylamine hydrochloride, 97%, Thermo Scientific™

CAS: 1112459-82-1 Molecular Formula: C12H14ClNS Molecular Weight (g/mol): 239.761 MDL Number: MFCD12198118 InChI Key: BRDMSBXGZSSVJT-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl benzylamine hydrochloride,4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,4-2-thienylmethyl phenyl methylamine, chloride,4-thien-2-ylmethyl phenyl methylamine hydrochloride,1-4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,1-4-thiophen-2-yl methyl phenyl methanamine-hydrogen chloride 1/1 PubChem CID: 43811053 IUPAC Name: [4-(thiophen-2-ylmethyl)phenyl]methanamine;hydrochloride SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)CN.Cl

PubChem CID 43811053
CAS 1112459-82-1
Molecular Weight (g/mol) 239.761
MDL Number MFCD12198118
SMILES C1=CSC(=C1)CC2=CC=C(C=C2)CN.Cl
Synonym 4-thien-2-ylmethyl benzylamine hydrochloride,4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,4-2-thienylmethyl phenyl methylamine, chloride,4-thien-2-ylmethyl phenyl methylamine hydrochloride,1-4-thiophen-2-ylmethyl phenyl methanamine hydrochloride,1-4-thiophen-2-yl methyl phenyl methanamine-hydrogen chloride 1/1
IUPAC Name [4-(thiophen-2-ylmethyl)phenyl]methanamine;hydrochloride
InChI Key BRDMSBXGZSSVJT-UHFFFAOYSA-N
Molecular Formula C12H14ClNS
5

2-Chloro-4-(methylsulfonyl)benzoic acid, 95%, Thermo Scientific™

CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1

PubChem CID 735863
CAS 53250-83-2
Molecular Weight (g/mol) 233.64
MDL Number MFCD00216496
SMILES CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
Synonym 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa
IUPAC Name 2-chloro-4-methylsulfonylbenzoic acid
InChI Key CTTWSFIIFMWHLQ-UHFFFAOYSA-M
Molecular Formula C8H6ClO4S
6

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

2-(Trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N

PubChem CID 6922
CAS 88-17-5
Molecular Weight (g/mol) 161.127
MDL Number MFCD00007718
SMILES C1=CC=C(C(=C1)C(F)(F)F)N
Synonym 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene
IUPAC Name 2-(trifluoromethyl)aniline
InChI Key VBLXCTYLWZJBKA-UHFFFAOYSA-N
Molecular Formula C7H6F3N
8

4-(Trifluoromethyl)aniline, ≥97%, Thermo Scientific™

CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

PubChem CID 9964
CAS 455-14-1
Molecular Weight (g/mol) 161.127
ChEBI CHEBI:40750
MDL Number MFCD00064396
SMILES C1=CC(=CC=C1C(F)(F)F)N
Synonym 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine
IUPAC Name 4-(trifluoromethyl)aniline
InChI Key ODGIMMLDVSWADK-UHFFFAOYSA-N
Molecular Formula C7H6F3N
9

3-bromo-2-hydroxy-5-nitrobenzaldehyde, Thermo Scientific™

CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O

PubChem CID 519307
CAS 16789-84-7
Molecular Weight (g/mol) 246.02
MDL Number MFCD00051833
SMILES OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
Synonym 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde
IUPAC Name 3-bromo-2-hydroxy-5-nitrobenzaldehyde
InChI Key BESBCGANGAEHPM-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
10

4-chloro-2-methylbenzoic acid, 97%, Thermo Scientific™

CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852 InChI Key: XXFKOBGFMUIWDH-UHFFFAOYSA-N Synonym: 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid PubChem CID: 348269 IUPAC Name: 4-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O

PubChem CID 348269
CAS 7499-07-2
Molecular Weight (g/mol) 170.59
MDL Number MFCD00045852
SMILES CC1=C(C=CC(=C1)Cl)C(=O)O
Synonym 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid
IUPAC Name 4-chloro-2-methylbenzoic acid
InChI Key XXFKOBGFMUIWDH-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
12

4-(4'-Aminobenzyl)thiomorpholine 1,1-dioxide, ≥90%, Thermo Scientific™

CAS: 263339-24-8 Molecular Formula: C11H16N2O2S Molecular Weight (g/mol): 240.32 MDL Number: MFCD03407300 InChI Key: TZMCILRCGMFRJC-UHFFFAOYSA-N Synonym: 4-4'-aminobenzyl thiomorpholine 1,1-dioxide,4-1,1-dioxo-1,4-thiazinan-4-yl methyl aniline,4-1,1-dioxo-4-thiomorpholinyl methyl phenyl amine,4-4-aminophenyl methyl-1??-thiomorpholine-1,1-dione,4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl-thiomorpholine-1,1-dioxide,4-4-amino-benzyl-thiomorpholine 1,1-dioxide,4-1,1-dioxo-thiomorpholin-4-yl-methyl-aniline PubChem CID: 2779682 IUPAC Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline SMILES: NC1=CC=C(CN2CCS(=O)(=O)CC2)C=C1

PubChem CID 2779682
CAS 263339-24-8
Molecular Weight (g/mol) 240.32
MDL Number MFCD03407300
SMILES NC1=CC=C(CN2CCS(=O)(=O)CC2)C=C1
Synonym 4-4'-aminobenzyl thiomorpholine 1,1-dioxide,4-1,1-dioxo-1,4-thiazinan-4-yl methyl aniline,4-1,1-dioxo-4-thiomorpholinyl methyl phenyl amine,4-4-aminophenyl methyl-1??-thiomorpholine-1,1-dione,4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl-thiomorpholine-1,1-dioxide,4-4-amino-benzyl-thiomorpholine 1,1-dioxide,4-1,1-dioxo-thiomorpholin-4-yl-methyl-aniline
IUPAC Name 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
InChI Key TZMCILRCGMFRJC-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
13

1,3-Dichloro-2-methyl-5-nitrobenzene, 95%, Thermo Scientific™

CAS: 7149-69-1 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.022 MDL Number: MFCD00174267 InChI Key: RUVCGWLHTVGNGI-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-nitrotoluene,1,3-dichloro-2-methyl-5-nitro-benzene,benzene, 1,3-dichloro-2-methyl-5-nitro,pubchem9506,maybridge1_005049,ksc496m1j PubChem CID: 251670 IUPAC Name: 1,3-dichloro-2-methyl-5-nitrobenzene SMILES: CC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

PubChem CID 251670
CAS 7149-69-1
Molecular Weight (g/mol) 206.022
MDL Number MFCD00174267
SMILES CC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
Synonym 2,6-dichloro-4-nitrotoluene,1,3-dichloro-2-methyl-5-nitro-benzene,benzene, 1,3-dichloro-2-methyl-5-nitro,pubchem9506,maybridge1_005049,ksc496m1j
IUPAC Name 1,3-dichloro-2-methyl-5-nitrobenzene
InChI Key RUVCGWLHTVGNGI-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO2
14

3-Pyrimidin-2-ylbenzoic acid, 97%, Thermo Scientific™

CAS: 579476-26-9 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD05864812 InChI Key: KLTNGIZIUGYITR-UHFFFAOYSA-N PubChem CID: 22317373 IUPAC Name: 3-pyrimidin-2-ylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CC=N2

PubChem CID 22317373
CAS 579476-26-9
Molecular Weight (g/mol) 200.197
MDL Number MFCD05864812
SMILES C1=CC(=CC(=C1)C(=O)O)C2=NC=CC=N2
IUPAC Name 3-pyrimidin-2-ylbenzoic acid
InChI Key KLTNGIZIUGYITR-UHFFFAOYSA-N
Molecular Formula C11H8N2O2
15

1-(2-Phenoxyphenyl)ethanone, 97%, Thermo Scientific™

CAS: 26388-13-6 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD08271961 InChI Key: KPBCVVSDGJBODL-UHFFFAOYSA-N Synonym: 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl PubChem CID: 10703750 IUPAC Name: 1-(2-phenoxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1OC1=CC=CC=C1

PubChem CID 10703750
CAS 26388-13-6
Molecular Weight (g/mol) 212.25
MDL Number MFCD08271961
SMILES CC(=O)C1=CC=CC=C1OC1=CC=CC=C1
Synonym 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl
IUPAC Name 1-(2-phenoxyphenyl)ethanone
InChI Key KPBCVVSDGJBODL-UHFFFAOYSA-N
Molecular Formula C14H12O2