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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 586 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

[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

4-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906353-00-2 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.22 MDL Number: MFCD09817529 InChI Key: PPGBPVGCYRDKMI-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid PubChem CID: 24229686 SMILES: CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1

PubChem CID 24229686
CAS 906353-00-2
Molecular Weight (g/mol) 230.22
MDL Number MFCD09817529
SMILES CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1
Synonym 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid
InChI Key PPGBPVGCYRDKMI-UHFFFAOYSA-N
Molecular Formula C12H10N2O3
6

[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
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

2-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]benzoic acid, 97%, Thermo Scientific™

CAS: 910037-16-0 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD09879926 InChI Key: ADEAPHCAMGDLFU-UHFFFAOYSA-N Synonym: 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzoic acid,2-2-methyl-5-trifluoromethyl pyrazol-3-yl benzoic acid PubChem CID: 24229655 IUPAC Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2C(=O)O

PubChem CID 24229655
CAS 910037-16-0
Molecular Weight (g/mol) 270.211
MDL Number MFCD09879926
SMILES CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2C(=O)O
Synonym 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzoic acid,2-2-methyl-5-trifluoromethyl pyrazol-3-yl benzoic acid
IUPAC Name 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
InChI Key ADEAPHCAMGDLFU-UHFFFAOYSA-N
Molecular Formula C12H9F3N2O2
9

2-[3-(Chloromethyl)phenyl]-1,3-thiazole, 97%, Thermo Scientific™

CAS: 906352-60-1 Molecular Formula: C10H8ClNS Molecular Weight (g/mol): 209.69 MDL Number: MFCD09025829 InChI Key: SWICJACRAPFUKX-UHFFFAOYSA-N Synonym: 2-3-chloromethyl phenyl-1,3-thiazole,2-3-chloromethyl phenyl thiazole PubChem CID: 18525728 IUPAC Name: 2-[3-(chloromethyl)phenyl]-1,3-thiazole SMILES: ClCC1=CC=CC(=C1)C1=NC=CS1

PubChem CID 18525728
CAS 906352-60-1
Molecular Weight (g/mol) 209.69
MDL Number MFCD09025829
SMILES ClCC1=CC=CC(=C1)C1=NC=CS1
Synonym 2-3-chloromethyl phenyl-1,3-thiazole,2-3-chloromethyl phenyl thiazole
IUPAC Name 2-[3-(chloromethyl)phenyl]-1,3-thiazole
InChI Key SWICJACRAPFUKX-UHFFFAOYSA-N
Molecular Formula C10H8ClNS
10

N-Methyl-N-(2-thien-2-ylbenzyl)amine, 97%, Thermo Scientific™

CAS: 852180-66-6 Molecular Formula: C12H13NS Molecular Weight (g/mol): 203.303 MDL Number: MFCD07368538 InChI Key: MRKJJEJYTBOUTH-UHFFFAOYSA-N Synonym: n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl PubChem CID: 7060565 IUPAC Name: N-methyl-1-(2-thiophen-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC=C1C2=CC=CS2

PubChem CID 7060565
CAS 852180-66-6
Molecular Weight (g/mol) 203.303
MDL Number MFCD07368538
SMILES CNCC1=CC=CC=C1C2=CC=CS2
Synonym n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl
IUPAC Name N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
InChI Key MRKJJEJYTBOUTH-UHFFFAOYSA-N
Molecular Formula C12H13NS
11

4-(Pyrid-2-yloxy)benzoic acid, ≥97%, Thermo Scientific™

CAS: 51363-00-9 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.21 MDL Number: MFCD08435897 InChI Key: GKSKQZLHPWBLJL-UHFFFAOYSA-N Synonym: 4-pyrid-2-yloxy benzoic acid,4-pyridin-2-yloxy benzoic acid,4-2-pyridyloxy benzoic acid,4-pyridin-2-yloxy-benzoic acid,4-pyridin-2-yl oxy benzoic acid PubChem CID: 22262052 IUPAC Name: 4-pyridin-2-yloxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1

PubChem CID 22262052
CAS 51363-00-9
Molecular Weight (g/mol) 215.21
MDL Number MFCD08435897
SMILES OC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1
Synonym 4-pyrid-2-yloxy benzoic acid,4-pyridin-2-yloxy benzoic acid,4-2-pyridyloxy benzoic acid,4-pyridin-2-yloxy-benzoic acid,4-pyridin-2-yl oxy benzoic acid
IUPAC Name 4-pyridin-2-yloxybenzoic acid
InChI Key GKSKQZLHPWBLJL-UHFFFAOYSA-N
Molecular Formula C12H9NO3
12

1-Chloro-3-iodobenzene, 97%, Thermo Scientific™

CAS: 625-99-0 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001046 InChI Key: JMLWXCJXOYDXRN-UHFFFAOYSA-N Synonym: 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene PubChem CID: 12269 IUPAC Name: 1-chloro-3-iodobenzene SMILES: ClC1=CC=CC(I)=C1

PubChem CID 12269
CAS 625-99-0
Molecular Weight (g/mol) 238.45
MDL Number MFCD00001046
SMILES ClC1=CC=CC(I)=C1
Synonym 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene
IUPAC Name 1-chloro-3-iodobenzene
InChI Key JMLWXCJXOYDXRN-UHFFFAOYSA-N
Molecular Formula C6H4ClI
13

3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 3919-74-2 Molecular Formula: C11H7ClFNO3 Molecular Weight (g/mol): 255.63 MDL Number: MFCD00055659 InChI Key: REIPZLFZMOQHJT-UHFFFAOYSA-N Synonym: 3-2-chloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,fcimic acid,4-isoxazolecarboxylic acid, 3-2-chloro-6-fluorophenyl-5-methyl,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxylic acid,3-2-dihloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxic acid,pubchem8772,acmc-1ckjh,3-2-chloro-6-fluorophenyl 5-methylisoxazole-4-carboxylic acid PubChem CID: 77520 IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(F)C=CC=C1Cl

PubChem CID 77520
CAS 3919-74-2
Molecular Weight (g/mol) 255.63
MDL Number MFCD00055659
SMILES CC1=C(C(O)=O)C(=NO1)C1=C(F)C=CC=C1Cl
Synonym 3-2-chloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,fcimic acid,4-isoxazolecarboxylic acid, 3-2-chloro-6-fluorophenyl-5-methyl,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxylic acid,3-2-dihloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxic acid,pubchem8772,acmc-1ckjh,3-2-chloro-6-fluorophenyl 5-methylisoxazole-4-carboxylic acid
IUPAC Name 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key REIPZLFZMOQHJT-UHFFFAOYSA-N
Molecular Formula C11H7ClFNO3
14

[3-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 151055-79-7 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271918 InChI Key: TXQZIKDWFOLTSC-UHFFFAOYSA-N PubChem CID: 10397593 IUPAC Name: [3-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CN2C=CN=C2

PubChem CID 10397593
CAS 151055-79-7
Molecular Weight (g/mol) 188.23
MDL Number MFCD08271918
SMILES C1=CC(=CC(=C1)CO)CN2C=CN=C2
IUPAC Name [3-(imidazol-1-ylmethyl)phenyl]methanol
InChI Key TXQZIKDWFOLTSC-UHFFFAOYSA-N
Molecular Formula C11H12N2O