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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 (239)
Benzyl Derivatives (159)
Benzoyl derivatives (103)
Trifluoromethylbenzenes (97)
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1 – 15 of 562 results
1

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
2

[4-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 103573-92-8 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271921 InChI Key: FSLVBXCLXDGFRE-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl PubChem CID: 15594569 IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CN2C=CN=C2)CO

PubChem CID 15594569
CAS 103573-92-8
Molecular Weight (g/mol) 188.23
MDL Number MFCD08271921
SMILES C1=CC(=CC=C1CN2C=CN=C2)CO
Synonym 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl
IUPAC Name [4-(imidazol-1-ylmethyl)phenyl]methanol
InChI Key FSLVBXCLXDGFRE-UHFFFAOYSA-N
Molecular Formula C11H12N2O
3

(3-Pyrimidin-2-ylphenyl)methanol, 97%, Thermo Scientific™

CAS: 892502-12-4 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD09064977 InChI Key: WMNXGJMCXOLBBV-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-ylphenyl methanol,3-pyrimidin-2-yl phenyl methanol,benzenemethanol,3-2-pyrimidinyl,3-pyrimidin-2-yl-benzyl alcohol,benzenemethanol, 3-2-pyrimidinyl,3-pyrimidin-2-ylphenyl methan-1-ol PubChem CID: 24229565 SMILES: OCC1=CC=CC(=C1)C1=NC=CC=N1

PubChem CID 24229565
CAS 892502-12-4
Molecular Weight (g/mol) 186.21
MDL Number MFCD09064977
SMILES OCC1=CC=CC(=C1)C1=NC=CC=N1
Synonym 3-pyrimidin-2-ylphenyl methanol,3-pyrimidin-2-yl phenyl methanol,benzenemethanol,3-2-pyrimidinyl,3-pyrimidin-2-yl-benzyl alcohol,benzenemethanol, 3-2-pyrimidinyl,3-pyrimidin-2-ylphenyl methan-1-ol
InChI Key WMNXGJMCXOLBBV-UHFFFAOYSA-N
Molecular Formula C11H10N2O
4

N-Methyl-3-pyrimidin-2-ylbenzylamine, 97%, Thermo Scientific™

CAS: 886851-49-6 Molecular Formula: C12H13N3 Molecular Weight (g/mol): 199.257 MDL Number: MFCD09702386 InChI Key: AHOVMAYXXRVWIS-UHFFFAOYSA-N Synonym: n-methyl-3-pyrimidin-2-ylbenzylamine,methyl 3-pyrimidin-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-pyrimidinyl,n-methyl-1-3-pyrimidin-2-yl phenyl methanamine,n-3-pyrimidin-2-yl benzyl methylamine,2-3-methylamino methyl phenyl pyrimidine,methyl 3-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-3-2-pyrimidinyl-9ci PubChem CID: 24229568 IUPAC Name: N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC(=C1)C2=NC=CC=N2

PubChem CID 24229568
CAS 886851-49-6
Molecular Weight (g/mol) 199.257
MDL Number MFCD09702386
SMILES CNCC1=CC=CC(=C1)C2=NC=CC=N2
Synonym n-methyl-3-pyrimidin-2-ylbenzylamine,methyl 3-pyrimidin-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-pyrimidinyl,n-methyl-1-3-pyrimidin-2-yl phenyl methanamine,n-3-pyrimidin-2-yl benzyl methylamine,2-3-methylamino methyl phenyl pyrimidine,methyl 3-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-3-2-pyrimidinyl-9ci
IUPAC Name N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine
InChI Key AHOVMAYXXRVWIS-UHFFFAOYSA-N
Molecular Formula C12H13N3
5

2,4,5-trifluoro-3-methoxybenzoyl chloride, Thermo Scientific™

CAS: 112811-66-2 Molecular Formula: C8H4ClF3O2 Molecular Weight (g/mol): 224.563 InChI Key: JVQSZTJTWSUJCR-UHFFFAOYSA-N Synonym: 3-methoxy-2,4,5-trifluorobenzoyl chloride,pubchem8384,acmc-1c4v9,2,4,5-trifluoro-3-methoxy-benzoyl chloride,benzoyl chloride,2,4,5-trifluoro-3-methoxy,benzoyl chloride, 2,4,5-trifluoro-3-methoxy,2,4,5-trifluoro-3-methoxybenzoyl chloride,2,4,5-tris fluoranyl-3-methoxy-benzoyl chloride PubChem CID: 2775281 IUPAC Name: 2,4,5-trifluoro-3-methoxybenzoyl chloride SMILES: COC1=C(C(=CC(=C1F)F)C(=O)Cl)F

PubChem CID 2775281
CAS 112811-66-2
Molecular Weight (g/mol) 224.563
SMILES COC1=C(C(=CC(=C1F)F)C(=O)Cl)F
Synonym 3-methoxy-2,4,5-trifluorobenzoyl chloride,pubchem8384,acmc-1c4v9,2,4,5-trifluoro-3-methoxy-benzoyl chloride,benzoyl chloride,2,4,5-trifluoro-3-methoxy,benzoyl chloride, 2,4,5-trifluoro-3-methoxy,2,4,5-trifluoro-3-methoxybenzoyl chloride,2,4,5-tris fluoranyl-3-methoxy-benzoyl chloride
IUPAC Name 2,4,5-trifluoro-3-methoxybenzoyl chloride
InChI Key JVQSZTJTWSUJCR-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O2
6

3,5-dichlorobenzene-1-carbohydrazide, 97%, Thermo Scientific™

CAS: 62899-78-9 Molecular Formula: C7H6Cl2N2O Molecular Weight (g/mol): 205.04 MDL Number: MFCD00833411 InChI Key: DNISXKBKTSHNKL-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzhydrazide,3,5-dichlorobenzenecarbohydrazide,acmc-1b4zh,3,5-bis chloranyl benzohydrazide,3,5-dichlorobenzoic acid hydrazide,benzoic acid,3,5-dichloro-,hydrazide,benzoic acid,3,5-dichloro-, hydrazide PubChem CID: 2735966 IUPAC Name: 3,5-dichlorobenzohydrazide SMILES: NNC(=O)C1=CC(Cl)=CC(Cl)=C1

PubChem CID 2735966
CAS 62899-78-9
Molecular Weight (g/mol) 205.04
MDL Number MFCD00833411
SMILES NNC(=O)C1=CC(Cl)=CC(Cl)=C1
Synonym 3,5-dichlorobenzhydrazide,3,5-dichlorobenzenecarbohydrazide,acmc-1b4zh,3,5-bis chloranyl benzohydrazide,3,5-dichlorobenzoic acid hydrazide,benzoic acid,3,5-dichloro-,hydrazide,benzoic acid,3,5-dichloro-, hydrazide
IUPAC Name 3,5-dichlorobenzohydrazide
InChI Key DNISXKBKTSHNKL-UHFFFAOYSA-N
Molecular Formula C7H6Cl2N2O
7

Methyl 3,5-dichlorobenzoate, Tech., Thermo Scientific™

CAS: 2905-67-1 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00032710 InChI Key: BTEVDFJXGLQUDS-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzoic acid methyl ester,benzoic acid, 3,5-dichloro-, methyl ester,unii-4gim06ee3p,4gim06ee3p,methyl-3,5-dichlorobenzoate,maybridge1_004559,acmc-1cd9x,dsstox_cid_22146,dsstox_rid_79937,dsstox_gsid_42146 PubChem CID: 76192 IUPAC Name: methyl 3,5-dichlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC(Cl)=C1

PubChem CID 76192
CAS 2905-67-1
Molecular Weight (g/mol) 205.03
MDL Number MFCD00032710
SMILES COC(=O)C1=CC(Cl)=CC(Cl)=C1
Synonym 3,5-dichlorobenzoic acid methyl ester,benzoic acid, 3,5-dichloro-, methyl ester,unii-4gim06ee3p,4gim06ee3p,methyl-3,5-dichlorobenzoate,maybridge1_004559,acmc-1cd9x,dsstox_cid_22146,dsstox_rid_79937,dsstox_gsid_42146
IUPAC Name methyl 3,5-dichlorobenzoate
InChI Key BTEVDFJXGLQUDS-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2
9

Methyl 3-chloro-4-methylbenzoate, Thermo Scientific™

CAS: 56525-63-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 InChI Key: KTFQDZCNPGFKAH-UHFFFAOYSA-N Synonym: methyl3-chloro-4-methylbenzoate,methyl-3-chloro-4-methylbenzoate,methyl 3-chloro-p-toluate,2-chloro-4-methoxycarbonyl toluene,3-chloro-4-methylbenzoic acid methyl ester,benzoic acid, 3-chloro-4-methyl-, methyl ester,pubchem10935,acmc-209lsv,ksc495i9j,methyl-3-chloro-4-metylbenzoate PubChem CID: 2801405 IUPAC Name: methyl 3-chloro-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)Cl

PubChem CID 2801405
CAS 56525-63-4
Molecular Weight (g/mol) 184.619
SMILES CC1=C(C=C(C=C1)C(=O)OC)Cl
Synonym methyl3-chloro-4-methylbenzoate,methyl-3-chloro-4-methylbenzoate,methyl 3-chloro-p-toluate,2-chloro-4-methoxycarbonyl toluene,3-chloro-4-methylbenzoic acid methyl ester,benzoic acid, 3-chloro-4-methyl-, methyl ester,pubchem10935,acmc-209lsv,ksc495i9j,methyl-3-chloro-4-metylbenzoate
IUPAC Name methyl 3-chloro-4-methylbenzoate
InChI Key KTFQDZCNPGFKAH-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
10

5-Fluoro-2-methylbenzamide, 97%, Thermo Scientific™

CAS: 175278-28-1 Molecular Formula: C8H8FNO Molecular Weight (g/mol): 153.156 MDL Number: MFCD00205105 InChI Key: VPAFHFHYJHZKSR-UHFFFAOYSA-N Synonym: benzamide,5-fluoro-2-methyl,benzamide, 5-fluoro-2-methyl-9ci,5-fluoro-2-methyl-benzamide,5-fluoranyl-2-methyl-benzamide,5-fluoro-2-methylbenzamide,benzamide, 5-fluoro-2-methyl,2-carbamoyl-4-fluorotoluene, 5-fluoro-o-toluamide PubChem CID: 2737374 IUPAC Name: 5-fluoro-2-methylbenzamide SMILES: CC1=C(C=C(C=C1)F)C(=O)N

PubChem CID 2737374
CAS 175278-28-1
Molecular Weight (g/mol) 153.156
MDL Number MFCD00205105
SMILES CC1=C(C=C(C=C1)F)C(=O)N
Synonym benzamide,5-fluoro-2-methyl,benzamide, 5-fluoro-2-methyl-9ci,5-fluoro-2-methyl-benzamide,5-fluoranyl-2-methyl-benzamide,5-fluoro-2-methylbenzamide,benzamide, 5-fluoro-2-methyl,2-carbamoyl-4-fluorotoluene, 5-fluoro-o-toluamide
IUPAC Name 5-fluoro-2-methylbenzamide
InChI Key VPAFHFHYJHZKSR-UHFFFAOYSA-N
Molecular Formula C8H8FNO
12

2-(4-Chlorophenyl)-3-oxopropanenitrile, 95%, Thermo Scientific™

CAS: 62538-21-0 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00052669 InChI Key: DAEXXSXAEMFPHQ-UHFFFAOYNA-N Synonym: 2-4-chlorophenyl-3-oxopropanenitrile,2-4-chlorophenyl-2-cyanoacetaldehyde,usaf el-67,alpha-formyl-p-chlorophenylacetonitrile,acetonitrile, 2-p-chlorophenyl-2-formyl,benzeneacetonitrile, 4-chloro-.alpha.-formyl,3-10-00-03025 beilstein handbook reference,4-chlorophenylcyanoacetaldehyde,benzeneacetonitrile,4-chloro-a-formyl,2-formyl-2-4-chlorophenyl acetonitrile PubChem CID: 44090 IUPAC Name: 2-(4-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=C(C=C1)C(C=O)C#N

PubChem CID 44090
CAS 62538-21-0
Molecular Weight (g/mol) 179.60
MDL Number MFCD00052669
SMILES ClC1=CC=C(C=C1)C(C=O)C#N
Synonym 2-4-chlorophenyl-3-oxopropanenitrile,2-4-chlorophenyl-2-cyanoacetaldehyde,usaf el-67,alpha-formyl-p-chlorophenylacetonitrile,acetonitrile, 2-p-chlorophenyl-2-formyl,benzeneacetonitrile, 4-chloro-.alpha.-formyl,3-10-00-03025 beilstein handbook reference,4-chlorophenylcyanoacetaldehyde,benzeneacetonitrile,4-chloro-a-formyl,2-formyl-2-4-chlorophenyl acetonitrile
IUPAC Name 2-(4-chlorophenyl)-3-oxopropanenitrile
InChI Key DAEXXSXAEMFPHQ-UHFFFAOYNA-N
Molecular Formula C9H6ClNO
14

[4-(Trifluoromethyl)phenyl]methanesulfonyl chloride, ≥95%, Thermo Scientific™

CAS: 163295-75-8 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.64 MDL Number: MFCD01631932 InChI Key: KKBNUPMMAGEQAT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene PubChem CID: 594332 IUPAC Name: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1

PubChem CID 594332
CAS 163295-75-8
Molecular Weight (g/mol) 258.64
MDL Number MFCD01631932
SMILES FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1
Synonym 4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene
IUPAC Name [4-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI Key KKBNUPMMAGEQAT-UHFFFAOYSA-N
Molecular Formula C8H6ClF3O2S
15

5-[2-Chloro-4-(trifluoromethyl)phenyl]-2-furaldehyde, 95%, Thermo Scientific™

CAS: 306936-04-9 Molecular Formula: C12H6ClF3O2 Molecular Weight (g/mol): 274.623 MDL Number: MFCD01571128 InChI Key: SAEPEPVLSICNRE-UHFFFAOYSA-N Synonym: 5-2-chloro-4-trifluoromethyl phenyl-2-furaldehyde,5-2-chloro-4-trifluoromethyl phenyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-chloro-4-trifluoromethyl phenyl PubChem CID: 2781786 IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O

PubChem CID 2781786
CAS 306936-04-9
Molecular Weight (g/mol) 274.623
MDL Number MFCD01571128
SMILES C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O
Synonym 5-2-chloro-4-trifluoromethyl phenyl-2-furaldehyde,5-2-chloro-4-trifluoromethyl phenyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-chloro-4-trifluoromethyl phenyl
IUPAC Name 5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde
InChI Key SAEPEPVLSICNRE-UHFFFAOYSA-N
Molecular Formula C12H6ClF3O2