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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 (242)
Benzyl Derivatives (163)
Trifluoromethylbenzenes (107)
Benzoyl derivatives (103)
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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

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
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
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

2-[3-(Dimethylamino)propoxy]-N-methylbenzylamine, ≥97%, Thermo Scientific™

CAS: 910037-06-8 Molecular Formula: C13H22N2O Molecular Weight (g/mol): 222.332 MDL Number: MFCD09064998 InChI Key: PSLNWMDOKBMVNV-UHFFFAOYSA-N Synonym: 2-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-2-methylamino methyl phenoxy propyl amine,2-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-2-methylamino methyl phenoxy propan-1-amine,benzenemethanamine,2-3-dimethylamino propoxy-n-methyl PubChem CID: 24229613 IUPAC Name: N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propan-1-amine SMILES: CNCC1=CC=CC=C1OCCCN(C)C

PubChem CID 24229613
CAS 910037-06-8
Molecular Weight (g/mol) 222.332
MDL Number MFCD09064998
SMILES CNCC1=CC=CC=C1OCCCN(C)C
Synonym 2-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-2-methylamino methyl phenoxy propyl amine,2-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-2-methylamino methyl phenoxy propan-1-amine,benzenemethanamine,2-3-dimethylamino propoxy-n-methyl
IUPAC Name N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propan-1-amine
InChI Key PSLNWMDOKBMVNV-UHFFFAOYSA-N
Molecular Formula C13H22N2O
7

[4-(tert-Butyl)phenyl]methanesulfonyl chloride, Tech., Thermo Scientific™

CAS: 519056-61-2 Molecular Formula: C11H15ClO2S Molecular Weight (g/mol): 246.749 MDL Number: MFCD04115413 InChI Key: NEJDUPGGBSPJLG-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl methanesulfonyl chloride,4-tert-butyl phenyl methanesulfonyl chloride,4-tert-butyl phenyl methanesulfonylchloride,4-tert-butylphenyl methanesulphonyl chloride,4-1-butyl phenylmethanesulfonyl chloride,4-tert-butyl phenyl methyl chlorosulfone PubChem CID: 2794645 IUPAC Name: (4-tert-butylphenyl)methanesulfonyl chloride SMILES: CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)Cl

PubChem CID 2794645
CAS 519056-61-2
Molecular Weight (g/mol) 246.749
MDL Number MFCD04115413
SMILES CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)Cl
Synonym 4-tert-butylphenyl methanesulfonyl chloride,4-tert-butyl phenyl methanesulfonyl chloride,4-tert-butyl phenyl methanesulfonylchloride,4-tert-butylphenyl methanesulphonyl chloride,4-1-butyl phenylmethanesulfonyl chloride,4-tert-butyl phenyl methyl chlorosulfone
IUPAC Name (4-tert-butylphenyl)methanesulfonyl chloride
InChI Key NEJDUPGGBSPJLG-UHFFFAOYSA-N
Molecular Formula C11H15ClO2S
8

2-(4-Bromobenzyl)thiophene, 97%, Thermo Scientific™

CAS: 118150-25-7 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD11841076 InChI Key: GGYCIKURJBHUER-UHFFFAOYSA-N Synonym: 2-4-bromobenzyl thiophene,2-4-bromophenyl methyl thiophene PubChem CID: 15322628 IUPAC Name: 2-[(4-bromophenyl)methyl]thiophene SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)Br

PubChem CID 15322628
CAS 118150-25-7
Molecular Weight (g/mol) 253.157
MDL Number MFCD11841076
SMILES C1=CSC(=C1)CC2=CC=C(C=C2)Br
Synonym 2-4-bromobenzyl thiophene,2-4-bromophenyl methyl thiophene
IUPAC Name 2-[(4-bromophenyl)methyl]thiophene
InChI Key GGYCIKURJBHUER-UHFFFAOYSA-N
Molecular Formula C11H9BrS
9

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
10

N-Methyl-2-(tetrahydropyran-4-yloxy)benzylamine, 95%, Thermo Scientific™

CAS: 906352-71-4 Molecular Formula: C13H19NO2 Molecular Weight (g/mol): 221.3 MDL Number: MFCD09064962 InChI Key: ZTMRIJRRCHAUNA-UHFFFAOYSA-N Synonym: n-methyl-2-tetrahydropyran-4-yloxy benzylamine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl oxy phenyl methanamine,methyl 2-oxan-4-yloxy phenyl methyl amine,n-methyl-n-2-tetrahydro-2h-pyran-4-yloxy benzyl amine,n-methyl-1-2-oxan-4-yl oxy phenyl methanamine,methyl 2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methyl amine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl ;oxy ;phenyl ;methanamine PubChem CID: 24229518 IUPAC Name: N-methyl-1-[2-(oxan-4-yloxy)phenyl]methanamine SMILES: CNCC1=CC=CC=C1OC2CCOCC2

PubChem CID 24229518
CAS 906352-71-4
Molecular Weight (g/mol) 221.3
MDL Number MFCD09064962
SMILES CNCC1=CC=CC=C1OC2CCOCC2
Synonym n-methyl-2-tetrahydropyran-4-yloxy benzylamine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl oxy phenyl methanamine,methyl 2-oxan-4-yloxy phenyl methyl amine,n-methyl-n-2-tetrahydro-2h-pyran-4-yloxy benzyl amine,n-methyl-1-2-oxan-4-yl oxy phenyl methanamine,methyl 2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methyl amine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl ;oxy ;phenyl ;methanamine
IUPAC Name N-methyl-1-[2-(oxan-4-yloxy)phenyl]methanamine
InChI Key ZTMRIJRRCHAUNA-UHFFFAOYSA-N
Molecular Formula C13H19NO2
11

2-(trifluoromethyl)phenyl isothiocyanate, Thermo Scientific™

CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S

PubChem CID 737162
CAS 1743-86-8
Molecular Weight (g/mol) 203.182
SMILES C1=CC=C(C(=C1)C(F)(F)F)N=C=S
Synonym 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester
IUPAC Name 1-isothiocyanato-2-(trifluoromethyl)benzene
InChI Key FCEKLQPJGXIQRY-UHFFFAOYSA-N
Molecular Formula C8H4F3NS
12

4-[3-(Dimethylamino)propoxy]benzylamine, 97%, Thermo Scientific™

CAS: 91637-76-2 Molecular Formula: C12H20N2O Molecular Weight (g/mol): 208.305 MDL Number: MFCD07786701 InChI Key: UGICLWAMZSRUPM-UHFFFAOYSA-N Synonym: 4-3-dimethylamino propoxy benzylamine,4-3-dimethylamino propoxy phenyl methanamine,3-4-aminomethyl phenoxy-n,n-dimethylpropan-1-amine,3-4-aminomethyl phenoxy propyl dimethylamine,benzenemethanamine, 4-3-dimethylamino propoxy,benzenemethanamine,4-3-dimethylamino propoxy,3-4-aminomethyl phenoxy-n,n-dimethylprop an-1-amine,1-4-3-dimethylamino propoxy phenyl methanamine PubChem CID: 21465384 IUPAC Name: 3-[4-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine SMILES: CN(C)CCCOC1=CC=C(C=C1)CN

PubChem CID 21465384
CAS 91637-76-2
Molecular Weight (g/mol) 208.305
MDL Number MFCD07786701
SMILES CN(C)CCCOC1=CC=C(C=C1)CN
Synonym 4-3-dimethylamino propoxy benzylamine,4-3-dimethylamino propoxy phenyl methanamine,3-4-aminomethyl phenoxy-n,n-dimethylpropan-1-amine,3-4-aminomethyl phenoxy propyl dimethylamine,benzenemethanamine, 4-3-dimethylamino propoxy,benzenemethanamine,4-3-dimethylamino propoxy,3-4-aminomethyl phenoxy-n,n-dimethylprop an-1-amine,1-4-3-dimethylamino propoxy phenyl methanamine
IUPAC Name 3-[4-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
InChI Key UGICLWAMZSRUPM-UHFFFAOYSA-N
Molecular Formula C12H20N2O
13

5-Bromo-3-methyl-benzene-1,2-diamine, 97%, Thermo Scientific™

CAS: 76153-06-5 Molecular Formula: C7H9BrN2 Molecular Weight (g/mol): 201.067 InChI Key: UOFSLKHZOPVGHG-UHFFFAOYSA-N Synonym: 5-bromo-3-methyl-benzene-1,2-diamine,5-bromo-3-methyl-1,2-benzenediamine,1,2-benzenediamine, 5-bromo-3-methyl,2,3-diamino-5-bromotoluene,5-bromo-2,3-diaminotoluene,bromomethylbenzenediamine,pubchem22667,ksc642k2n,5-bromo-2,3-diamino-toluene,5-bromo-2.3-diamino-toluene PubChem CID: 1516397 IUPAC Name: 5-bromo-3-methylbenzene-1,2-diamine SMILES: CC1=CC(=CC(=C1N)N)Br

PubChem CID 1516397
CAS 76153-06-5
Molecular Weight (g/mol) 201.067
SMILES CC1=CC(=CC(=C1N)N)Br
Synonym 5-bromo-3-methyl-benzene-1,2-diamine,5-bromo-3-methyl-1,2-benzenediamine,1,2-benzenediamine, 5-bromo-3-methyl,2,3-diamino-5-bromotoluene,5-bromo-2,3-diaminotoluene,bromomethylbenzenediamine,pubchem22667,ksc642k2n,5-bromo-2,3-diamino-toluene,5-bromo-2.3-diamino-toluene
IUPAC Name 5-bromo-3-methylbenzene-1,2-diamine
InChI Key UOFSLKHZOPVGHG-UHFFFAOYSA-N
Molecular Formula C7H9BrN2
15

1-Benzhydrylazetan-3-ol, Thermo Scientific™

CAS: 18621-17-5 Molecular Formula: C16H17NO Molecular Weight (g/mol): 239.32 MDL Number: MFCD00205109 InChI Key: MMAJXKGUZYDTHV-UHFFFAOYSA-N Synonym: 1-benzhydrylazetan-3-ol,1-diphenylmethyl-3-hydroxyazetidine,1-diphenylmethyl azetidin-3-ol,1-benzhydryl-3-azetidinol,1-benzhydryl-3-hydroxyazetidine,1-benzhydryl-azetidin-3-ol,n-benzhydrylazetidin-3-ol,3-azetidinol, 1-diphenylmethyl,1-diphenylmethyl-3-azetidinol PubChem CID: 330448 SMILES: OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 330448
CAS 18621-17-5
Molecular Weight (g/mol) 239.32
MDL Number MFCD00205109
SMILES OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1-benzhydrylazetan-3-ol,1-diphenylmethyl-3-hydroxyazetidine,1-diphenylmethyl azetidin-3-ol,1-benzhydryl-3-azetidinol,1-benzhydryl-3-hydroxyazetidine,1-benzhydryl-azetidin-3-ol,n-benzhydrylazetidin-3-ol,3-azetidinol, 1-diphenylmethyl,1-diphenylmethyl-3-azetidinol
InChI Key MMAJXKGUZYDTHV-UHFFFAOYSA-N
Molecular Formula C16H17NO