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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-(5-Methyl-1,3,4-oxadiazol-2-yl)benzylamine, 97%, Thermo Scientific™

CAS: 946409-19-4 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD11109325 InChI Key: SBNUQIHHPTZLSV-UHFFFAOYSA-N Synonym: 4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine,4-5-methyl-1,3,4-oxadiazol-2-yl-benzenemethanamine PubChem CID: 33589501 IUPAC Name: [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine SMILES: CC1=NN=C(O1)C2=CC=C(C=C2)CN

PubChem CID 33589501
CAS 946409-19-4
Molecular Weight (g/mol) 189.218
MDL Number MFCD11109325
SMILES CC1=NN=C(O1)C2=CC=C(C=C2)CN
Synonym 4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine,4-5-methyl-1,3,4-oxadiazol-2-yl-benzenemethanamine
IUPAC Name [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
InChI Key SBNUQIHHPTZLSV-UHFFFAOYSA-N
Molecular Formula C10H11N3O
2

(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
3

[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
4

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
5

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
6

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
7

[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
9

1-(Bromomethyl)-4-phenoxybenzene, ≥97%, Thermo Scientific™

CAS: 36881-42-2 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD04038693 InChI Key: CPIGBCFBFZSCQI-UHFFFAOYSA-N PubChem CID: 1514251 IUPAC Name: 1-(bromomethyl)-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr

PubChem CID 1514251
CAS 36881-42-2
Molecular Weight (g/mol) 263.134
MDL Number MFCD04038693
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr
IUPAC Name 1-(bromomethyl)-4-phenoxybenzene
InChI Key CPIGBCFBFZSCQI-UHFFFAOYSA-N
Molecular Formula C13H11BrO
11

N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide, Thermo Scientific™

CAS: 22179-86-8 Molecular Formula: C8H7F3N2O Molecular Weight (g/mol): 204.152 InChI Key: QCVFLUSIBKAKPC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzamidoxime,n-hydroxy-4-trifluoromethyl-benzamidine,n'-hydroxy-4-trifluoromethyl benzenecarboximidamide,n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzene-1-carboximidamide,4-trifluoromethylbenzamidoxime,hydroxyimino 4-trifluoromethyl phenyl methylamine,4-trifluoromethylbenzamideoxime,benzenecarboximidamide,n-hydroxy-4-trifluoromethyl PubChem CID: 9581576 IUPAC Name: N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide SMILES: C1=CC(=CC=C1C(=NO)N)C(F)(F)F

PubChem CID 9581576
CAS 22179-86-8
Molecular Weight (g/mol) 204.152
SMILES C1=CC(=CC=C1C(=NO)N)C(F)(F)F
Synonym 4-trifluoromethyl benzamidoxime,n-hydroxy-4-trifluoromethyl-benzamidine,n'-hydroxy-4-trifluoromethyl benzenecarboximidamide,n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzene-1-carboximidamide,4-trifluoromethylbenzamidoxime,hydroxyimino 4-trifluoromethyl phenyl methylamine,4-trifluoromethylbenzamideoxime,benzenecarboximidamide,n-hydroxy-4-trifluoromethyl
IUPAC Name N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
InChI Key QCVFLUSIBKAKPC-UHFFFAOYSA-N
Molecular Formula C8H7F3N2O
12

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
13

4-(3-Bromothien-2-yl)-N-methylbenzylamine, 97%, Thermo Scientific™

CAS: 937796-02-6 Molecular Formula: C12H12BrNS Molecular Weight (g/mol): 282.199 MDL Number: MFCD09879974 InChI Key: JAQWWPQIUYWZIC-UHFFFAOYSA-N Synonym: 4-3-bromothien-2-yl-n-methylbenzylamine,4-3-bromothiophen-2-yl phenyl methyl methyl amine,1-4-3-bromothiophen-2-yl phenyl-n-methylmethanamine,4-3-bromothiophen-2-yl-n-methylbenzylamine PubChem CID: 24229757 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)C2=C(C=CS2)Br

PubChem CID 24229757
CAS 937796-02-6
Molecular Weight (g/mol) 282.199
MDL Number MFCD09879974
SMILES CNCC1=CC=C(C=C1)C2=C(C=CS2)Br
Synonym 4-3-bromothien-2-yl-n-methylbenzylamine,4-3-bromothiophen-2-yl phenyl methyl methyl amine,1-4-3-bromothiophen-2-yl phenyl-n-methylmethanamine,4-3-bromothiophen-2-yl-n-methylbenzylamine
IUPAC Name 1-[4-(3-bromothiophen-2-yl)phenyl]-N-methylmethanamine
InChI Key JAQWWPQIUYWZIC-UHFFFAOYSA-N
Molecular Formula C12H12BrNS
14

3-Pyrimidin-2-ylbenzylamine, 97%, Thermo Scientific™

CAS: 910036-92-9 Molecular Formula: C11H11N3 Molecular Weight (g/mol): 185.23 MDL Number: MFCD09702384 InChI Key: MXSXDKVANPZCBQ-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-ylbenzylamine,3-pyrimidin-2-yl phenyl methanamine,3-pyrimidin-2-yl benzylamine,1-3-pyrimidin-2-yl phenyl methanamine,3-pyrimidin-2-ylphenyl methylamine,benzenemethanamine, 3-2-pyrimidinyl PubChem CID: 24229566 IUPAC Name: (3-pyrimidin-2-ylphenyl)methanamine SMILES: NCC1=CC=CC(=C1)C1=NC=CC=N1

PubChem CID 24229566
CAS 910036-92-9
Molecular Weight (g/mol) 185.23
MDL Number MFCD09702384
SMILES NCC1=CC=CC(=C1)C1=NC=CC=N1
Synonym 3-pyrimidin-2-ylbenzylamine,3-pyrimidin-2-yl phenyl methanamine,3-pyrimidin-2-yl benzylamine,1-3-pyrimidin-2-yl phenyl methanamine,3-pyrimidin-2-ylphenyl methylamine,benzenemethanamine, 3-2-pyrimidinyl
IUPAC Name (3-pyrimidin-2-ylphenyl)methanamine
InChI Key MXSXDKVANPZCBQ-UHFFFAOYSA-N
Molecular Formula C11H11N3
15

3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid, 95%, Thermo Scientific™

CAS: 232595-59-4 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD02682202 InChI Key: KSTCXQVSGVVIAO-UHFFFAOYSA-N Synonym: 3-tert-butoxycarbonyl amino-5-hydroxybenzoic acid,3-n-boc-amino-5-hydroxybenzoic acid,3-amino-5-hydroxybenzoic acid, n-boc protected,3-tert-butoxycarbonylamino-5-hydroxy-benzoic acid,3-tert-butoxy carbonylamino-5-hydroxybenzoic acid PubChem CID: 18322886 IUPAC Name: 3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC(O)=CC(=C1)C(O)=O

PubChem CID 18322886
CAS 232595-59-4
Molecular Weight (g/mol) 253.25
MDL Number MFCD02682202
SMILES CC(C)(C)OC(=O)NC1=CC(O)=CC(=C1)C(O)=O
Synonym 3-tert-butoxycarbonyl amino-5-hydroxybenzoic acid,3-n-boc-amino-5-hydroxybenzoic acid,3-amino-5-hydroxybenzoic acid, n-boc protected,3-tert-butoxycarbonylamino-5-hydroxy-benzoic acid,3-tert-butoxy carbonylamino-5-hydroxybenzoic acid
IUPAC Name 3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI Key KSTCXQVSGVVIAO-UHFFFAOYSA-N
Molecular Formula C12H15NO5