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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.
Aminobenzoic acids and derivatives (26)
Fluorobenzenes (16)
Phenoxy compounds (16)
Hydroxybenzoic Acid Derivatives (12)
Bromobenzenes (9)
Nitrobenzoic acids and derivatives (9)
Phenylpropenes (6)
Anilides (5)
Phenylmethylamines (5)
Benzyl Derivatives (5)
Diphenylethers (4)
Styrenes (4)
Benzenesulfonyl compounds (3)
Benzoyl derivatives (3)
Benzamides (2)
N-phenylthioureas (2)
Phenylphosphines and derivatives (2)
Phthalic acid and derivatives (2)
Trifluoromethylbenzenes (2)
Aminotoluenes (1)
Benzenesulfonamides (1)
Biphenyls and derivatives (1)
Diphenylmethanes (1)

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1 – 15 of 120 results
1

4-Cyanostyrene, 97%, stab. with 0.05% 4-tert-butyl catechol

CAS: 3435-51-6 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00080445 InChI Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N PubChem CID: 76967 IUPAC Name: 4-ethenylbenzonitrile SMILES: C=CC1=CC=C(C=C1)C#N

PubChem CID 76967
CAS 3435-51-6
Molecular Weight (g/mol) 129.16
MDL Number MFCD00080445
SMILES C=CC1=CC=C(C=C1)C#N
IUPAC Name 4-ethenylbenzonitrile
InChI Key SNTUCKQYWGHZPK-UHFFFAOYSA-N
Molecular Formula C9H7N
2

3,5-Dibromotoluene 98.0+%, TCI America™

CAS: 1611-92-3 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.93 MDL Number: MFCD00013528 InChI Key: DPKKOVGCHDUSAI-UHFFFAOYSA-N Synonym: 3,5-dibromotoluene,benzene, 1,3-dibromo-5-methyl,toluene, 3,5-dibromo,3 ,5-dibromotoluene,1,3-dibromo-5-methyl-benzene,5-dibromotoluene,3,5-dibromo toluene,3,5-dibromo-toluene,pubchem3934,acmc-1bs6w PubChem CID: 15361 IUPAC Name: 1,3-dibromo-5-methylbenzene SMILES: CC1=CC(Br)=CC(Br)=C1

PubChem CID 15361
CAS 1611-92-3
Molecular Weight (g/mol) 249.93
MDL Number MFCD00013528
SMILES CC1=CC(Br)=CC(Br)=C1
Synonym 3,5-dibromotoluene,benzene, 1,3-dibromo-5-methyl,toluene, 3,5-dibromo,3 ,5-dibromotoluene,1,3-dibromo-5-methyl-benzene,5-dibromotoluene,3,5-dibromo toluene,3,5-dibromo-toluene,pubchem3934,acmc-1bs6w
IUPAC Name 1,3-dibromo-5-methylbenzene
InChI Key DPKKOVGCHDUSAI-UHFFFAOYSA-N
Molecular Formula C7H6Br2
3

3-Nitrobenzoic Acid 99.0+%, TCI America™

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

PubChem CID 8497
CAS 121-92-6
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007251
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4

2,3,4-Trifluorotoluene 97.0+%, TCI America™

CAS: 193533-92-5 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00075194 InChI Key: LRQPEHJWTXCLQY-UHFFFAOYSA-N PubChem CID: 2777991 IUPAC Name: 1,2,3-trifluoro-4-methylbenzene SMILES: CC1=C(C(=C(C=C1)F)F)F

PubChem CID 2777991
CAS 193533-92-5
Molecular Weight (g/mol) 146.112
MDL Number MFCD00075194
SMILES CC1=C(C(=C(C=C1)F)F)F
IUPAC Name 1,2,3-trifluoro-4-methylbenzene
InChI Key LRQPEHJWTXCLQY-UHFFFAOYSA-N
Molecular Formula C7H5F3
5

Phenyl Trimethylsilylmethyl Sulfone 95.0+%, TCI America™

CAS: 17872-92-3 Molecular Formula: C10H16O2SSi Molecular Weight (g/mol): 228.38 MDL Number: MFCD00012364 InChI Key: OEXJFEDAGJGOEP-UHFFFAOYSA-N Synonym: (Phenylsulfonylmethyl)trimethylsilane PubChem CID: 3290840 IUPAC Name: [(benzenesulfonyl)methyl]trimethylsilane SMILES: C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1

PubChem CID 3290840
CAS 17872-92-3
Molecular Weight (g/mol) 228.38
MDL Number MFCD00012364
SMILES C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1
Synonym (Phenylsulfonylmethyl)trimethylsilane
IUPAC Name [(benzenesulfonyl)methyl]trimethylsilane
InChI Key OEXJFEDAGJGOEP-UHFFFAOYSA-N
Molecular Formula C10H16O2SSi
6

3,5-Bis(3,5-dimethoxybenzyloxy)benzyl Alcohol 94.0+%, TCI America™

CAS: 176650-92-3 Molecular Formula: C25H28O7 Molecular Weight (g/mol): 440.49 MDL Number: MFCD03844779 InChI Key: TWHQMXZJXJJPKN-UHFFFAOYSA-N PubChem CID: 15778112 IUPAC Name: {3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl}methanol SMILES: COC1=CC(OC)=CC(COC2=CC(OCC3=CC(OC)=CC(OC)=C3)=CC(CO)=C2)=C1

PubChem CID 15778112
CAS 176650-92-3
Molecular Weight (g/mol) 440.49
MDL Number MFCD03844779
SMILES COC1=CC(OC)=CC(COC2=CC(OCC3=CC(OC)=CC(OC)=C3)=CC(CO)=C2)=C1
IUPAC Name {3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl}methanol
InChI Key TWHQMXZJXJJPKN-UHFFFAOYSA-N
Molecular Formula C25H28O7
7

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea 98.0+%, TCI America™

CAS: 1060-92-0 Molecular Formula: C17H8F12N2S Molecular Weight (g/mol): 500.306 InChI Key: RWXWQJYJWJNJNW-UHFFFAOYSA-N PubChem CID: 2803772 IUPAC Name: 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea SMILES: C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F

PubChem CID 2803772
CAS 1060-92-0
Molecular Weight (g/mol) 500.306
SMILES C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F
IUPAC Name 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI Key RWXWQJYJWJNJNW-UHFFFAOYSA-N
Molecular Formula C17H8F12N2S
8

4-(4-Chlorophenoxy)benzonitrile 98.0+%, TCI America™

CAS: 74448-92-3 Molecular Formula: C13H8ClNO Molecular Weight (g/mol): 229.663 InChI Key: SOTAPBLDXLHNRZ-UHFFFAOYSA-N Synonym: 4-Chloro-4′C-cyanodiphenyl Ether PubChem CID: 11195570 IUPAC Name: 4-(4-chlorophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl

PubChem CID 11195570
CAS 74448-92-3
Molecular Weight (g/mol) 229.663
SMILES C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl
Synonym 4-Chloro-4′C-cyanodiphenyl Ether
IUPAC Name 4-(4-chlorophenoxy)benzonitrile
InChI Key SOTAPBLDXLHNRZ-UHFFFAOYSA-N
Molecular Formula C13H8ClNO
9

trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl 98.0+%, TCI America™

CAS: 142400-92-8 Molecular Formula: C20H26F2 Molecular Weight (g/mol): 304.425 MDL Number: MFCD09842838 InChI Key: ALFLDQIYGBNZCO-UHFFFAOYSA-N Synonym: trans,trans-4-3,4-difluorophenyl-4'-vinyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-vinylbicyclohexyl,trans-4-3,4-difluorophenyl-trans-4'-vinylbicyclohexane,benzene, 4-trans,trans-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluoro,trans trans-4-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluorobenzene,trans,trans-4-3,4-difluoro-phenyl-4'-vinyl-bicyclohexyl,4-3,4-difluorophenyl-4'-vinylbi cyclohexane,4-e-1,2-dicyclohexylethenyl-1,2-difluorobenzene,4-vinyl-4'-3,4-difluorophenyl-1,1'-bicyclohexane,trans-4-3,4-difluorophenyl-trans-4-vinylbicyclohexane PubChem CID: 12010662 IUPAC Name: 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene SMILES: C=CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F

PubChem CID 12010662
CAS 142400-92-8
Molecular Weight (g/mol) 304.425
MDL Number MFCD09842838
SMILES C=CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
Synonym trans,trans-4-3,4-difluorophenyl-4'-vinyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-vinylbicyclohexyl,trans-4-3,4-difluorophenyl-trans-4'-vinylbicyclohexane,benzene, 4-trans,trans-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluoro,trans trans-4-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluorobenzene,trans,trans-4-3,4-difluoro-phenyl-4'-vinyl-bicyclohexyl,4-3,4-difluorophenyl-4'-vinylbi cyclohexane,4-e-1,2-dicyclohexylethenyl-1,2-difluorobenzene,4-vinyl-4'-3,4-difluorophenyl-1,1'-bicyclohexane,trans-4-3,4-difluorophenyl-trans-4-vinylbicyclohexane
IUPAC Name 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
InChI Key ALFLDQIYGBNZCO-UHFFFAOYSA-N
Molecular Formula C20H26F2
10

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 69891-92-5 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00012000 InChI Key: XETDBHNHTOJWPZ-UHFFFAOYSA-M Synonym: 2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide PubChem CID: 2724168 IUPAC Name: [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide SMILES: [Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1

PubChem CID 2724168
CAS 69891-92-5
Molecular Weight (g/mol) 457.35
MDL Number MFCD00012000
SMILES [Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1
Synonym 2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide
IUPAC Name [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide
InChI Key XETDBHNHTOJWPZ-UHFFFAOYSA-M
Molecular Formula C24H26BrO2P
11

2-Chloro-4-phenylphenol 96.0+%, TCI America™

CAS: 92-04-6 Molecular Formula: C12H9ClO Molecular Weight (g/mol): 204.653 MDL Number: MFCD00045745 InChI Key: BZWMYDJJDBFAPE-UHFFFAOYSA-N Synonym: sanidril,4-phenyl-2-chlorophenol,3-chloro-4-hydroxybiphenyl,dowicide 4,3-chlorobiphenyl-4-ol,3-chloro-4-biphenylol,o-chloro-p-phenylphenol,2-chloro-p-phenylphenol,3-chloro-4-hydroxydiphenyl,phenol, 2-chloro-4-phenyl PubChem CID: 7074 IUPAC Name: 2-chloro-4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl

PubChem CID 7074
CAS 92-04-6
Molecular Weight (g/mol) 204.653
MDL Number MFCD00045745
SMILES C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl
Synonym sanidril,4-phenyl-2-chlorophenol,3-chloro-4-hydroxybiphenyl,dowicide 4,3-chlorobiphenyl-4-ol,3-chloro-4-biphenylol,o-chloro-p-phenylphenol,2-chloro-p-phenylphenol,3-chloro-4-hydroxydiphenyl,phenol, 2-chloro-4-phenyl
IUPAC Name 2-chloro-4-phenylphenol
InChI Key BZWMYDJJDBFAPE-UHFFFAOYSA-N
Molecular Formula C12H9ClO
12

m-Acetotoluidine 98.0+%, TCI America™

CAS: 537-92-8 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00014962 InChI Key: ALMHSXDYCFOZQD-UHFFFAOYSA-N Synonym: 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene PubChem CID: 10843 IUPAC Name: N-(3-methylphenyl)acetamide SMILES: CC1=CC(=CC=C1)NC(=O)C

PubChem CID 10843
CAS 537-92-8
Molecular Weight (g/mol) 149.193
MDL Number MFCD00014962
SMILES CC1=CC(=CC=C1)NC(=O)C
Synonym 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene
IUPAC Name N-(3-methylphenyl)acetamide
InChI Key ALMHSXDYCFOZQD-UHFFFAOYSA-N
Molecular Formula C9H11NO
13

3-(Trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 454-92-2 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002519 InChI Key: FQXQBFUUVCDIRK-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoic acid,m-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-m-toluic acid,3-carboxybenzotrifluoride,3-trifluoromethyl-benzoic acid,benzoic acid, 3-trifluoromethyl,m-trifluoromethyl benzoic acid,3-trifluoromethyl benzoicacid,m-carboxybenzotrifluoride,a,a,a-trifluoro-m-toluic acid PubChem CID: 9963 ChEBI: CHEBI:60695 IUPAC Name: 3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 9963
CAS 454-92-2
Molecular Weight (g/mol) 190.12
ChEBI CHEBI:60695
MDL Number MFCD00002519
SMILES OC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl benzoic acid,m-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-m-toluic acid,3-carboxybenzotrifluoride,3-trifluoromethyl-benzoic acid,benzoic acid, 3-trifluoromethyl,m-trifluoromethyl benzoic acid,3-trifluoromethyl benzoicacid,m-carboxybenzotrifluoride,a,a,a-trifluoro-m-toluic acid
IUPAC Name 3-(trifluoromethyl)benzoic acid
InChI Key FQXQBFUUVCDIRK-UHFFFAOYSA-N
Molecular Formula C8H5F3O2
14

4-Methoxy-2,3,6-trimethylbenzaldehyde 98.0+%, TCI America™

CAS: 54344-92-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00456729 InChI Key: BTOFIDLWQJCUJG-UHFFFAOYSA-N Synonym: 2,3,6-Trimethyl-p-anisaldehyde PubChem CID: 824142 IUPAC Name: 4-methoxy-2,3,6-trimethylbenzaldehyde SMILES: CC1=CC(=C(C(=C1C=O)C)C)OC

PubChem CID 824142
CAS 54344-92-2
Molecular Weight (g/mol) 178.231
MDL Number MFCD00456729
SMILES CC1=CC(=C(C(=C1C=O)C)C)OC
Synonym 2,3,6-Trimethyl-p-anisaldehyde
IUPAC Name 4-methoxy-2,3,6-trimethylbenzaldehyde
InChI Key BTOFIDLWQJCUJG-UHFFFAOYSA-N
Molecular Formula C11H14O2
15

Ambroxol Hydrochloride 98.0+%, TCI America™

CAS: 23828-92-4 Molecular Formula: C13H19Br2ClN2O Molecular Weight (g/mol): 414.57 MDL Number: MFCD00078932 InChI Key: QNVKOSLOVOTXKF-UHFFFAOYSA-N Synonym: ambroxol hydrochloride,ambroxol hcl,mucoangin,mucosolvan,ambroxolhydrochloride,unii-cc995zmv90,cis-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,trans-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,ambroxol hydrochloride jan,lasolvan PubChem CID: 108013 IUPAC Name: hydrogen 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol chloride SMILES: [H+].[Cl-].NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1

PubChem CID 108013
CAS 23828-92-4
Molecular Weight (g/mol) 414.57
MDL Number MFCD00078932
SMILES [H+].[Cl-].NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1
Synonym ambroxol hydrochloride,ambroxol hcl,mucoangin,mucosolvan,ambroxolhydrochloride,unii-cc995zmv90,cis-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,trans-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,ambroxol hydrochloride jan,lasolvan
IUPAC Name hydrogen 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol chloride
InChI Key QNVKOSLOVOTXKF-UHFFFAOYSA-N
Molecular Formula C13H19Br2ClN2O