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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.
Hydroxybenzoic Acid Derivatives (18,864)
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3,616 – 3,630 of 65,514 results
3,616
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N,N-Diethyl-m-toluamide, 98%

CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.27 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C

PubChem CID 4284
CAS 134-62-3
Molecular Weight (g/mol) 191.27
ChEBI CHEBI:7071
MDL Number MFCD00009046
SMILES CCN(CC)C(=O)C1=CC(=CC=C1)C
Synonym deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan
IUPAC Name N,N-diethyl-3-methylbenzamide
InChI Key MMOXZBCLCQITDF-UHFFFAOYSA-N
Molecular Formula C12H17NO
3,617
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2-Chlorobenzyl alcohol, 99%

CAS: 17849-38-6 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00004604 InChI Key: MBYQPPXEXWRMQC-UHFFFAOYSA-N Synonym: 2-chlorobenzyl alcohol,2-chlorophenyl methanol,benzenemethanol, 2-chloro,2-chlorobenzenemethanol,o-chlorobenzyl alcohol,benzyl alcohol, o-chloro,2-chloro-phenyl-methanol,2-chlorophenyl methan-1-ol,benzenemethanol, ar-chloro,2-chlorobenzylalcohol PubChem CID: 28810 IUPAC Name: (2-chlorophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)Cl

PubChem CID 28810
CAS 17849-38-6
Molecular Weight (g/mol) 142.58
MDL Number MFCD00004604
SMILES C1=CC=C(C(=C1)CO)Cl
Synonym 2-chlorobenzyl alcohol,2-chlorophenyl methanol,benzenemethanol, 2-chloro,2-chlorobenzenemethanol,o-chlorobenzyl alcohol,benzyl alcohol, o-chloro,2-chloro-phenyl-methanol,2-chlorophenyl methan-1-ol,benzenemethanol, ar-chloro,2-chlorobenzylalcohol
IUPAC Name (2-chlorophenyl)methanol
InChI Key MBYQPPXEXWRMQC-UHFFFAOYSA-N
Molecular Formula C7H7ClO
3,618
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4-Fluorophenyl isocyanate, 99%

CAS: 1195-45-5 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 MDL Number: MFCD00002023 InChI Key: DSVGFKBFFICWLZ-UHFFFAOYSA-N PubChem CID: 70955 IUPAC Name: 1-fluoro-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)F

PubChem CID 70955
CAS 1195-45-5
Molecular Weight (g/mol) 137.11
MDL Number MFCD00002023
SMILES C1=CC(=CC=C1N=C=O)F
IUPAC Name 1-fluoro-4-isocyanatobenzene
InChI Key DSVGFKBFFICWLZ-UHFFFAOYSA-N
Molecular Formula C7H4FNO
3,619
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3-Fluoroaniline, 98%

CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N

PubChem CID 9742
CAS 372-19-0
Molecular Weight (g/mol) 111.12
ChEBI CHEBI:27873
MDL Number MFCD00007758
SMILES C1=CC(=CC(=C1)F)N
Synonym m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech
IUPAC Name 3-fluoroaniline
InChI Key QZVQQUVWFIZUBQ-UHFFFAOYSA-N
Molecular Formula C6H6FN
3,620
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4-Bromophenylboronic acid, 98%

CAS: 5467-74-3 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00002104 InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N Synonym: 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid PubChem CID: 79599 IUPAC Name: (4-bromophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C=C1

PubChem CID 79599
CAS 5467-74-3
Molecular Weight (g/mol) 200.83
MDL Number MFCD00002104
SMILES OB(O)C1=CC=C(Br)C=C1
Synonym 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid
IUPAC Name (4-bromophenyl)boronic acid
InChI Key QBLFZIBJXUQVRF-UHFFFAOYSA-N
Molecular Formula C6H6BBrO2
3,621

5-chloro-2-fluorophenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 247170-25-8 Molecular Formula: C7H3ClFNS Molecular Weight (g/mol): 187.616 MDL Number: MFCD01313224 InChI Key: RUASREJPMXNHLF-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorophenyl isothiocyanate,5-chloro-2-fluorophenylisothiocyanate,3-chloro-6-fluorophenylisothiocyanate,5-chloro-2-fluorobenzenisothiocyanate,benzene,4-chloro-1-fluoro-2-isothiocyanato,4-chloranyl-1-fluoranyl-2-isothiocyanato-benzene,benzene, 4-chloro-1-fluoro-2-isothiocyanato-9ci PubChem CID: 2736579 IUPAC Name: 4-chloro-1-fluoro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)N=C=S)F

PubChem CID 2736579
CAS 247170-25-8
Molecular Weight (g/mol) 187.616
MDL Number MFCD01313224
SMILES C1=CC(=C(C=C1Cl)N=C=S)F
Synonym 5-chloro-2-fluorophenyl isothiocyanate,5-chloro-2-fluorophenylisothiocyanate,3-chloro-6-fluorophenylisothiocyanate,5-chloro-2-fluorobenzenisothiocyanate,benzene,4-chloro-1-fluoro-2-isothiocyanato,4-chloranyl-1-fluoranyl-2-isothiocyanato-benzene,benzene, 4-chloro-1-fluoro-2-isothiocyanato-9ci
IUPAC Name 4-chloro-1-fluoro-2-isothiocyanatobenzene
InChI Key RUASREJPMXNHLF-UHFFFAOYSA-N
Molecular Formula C7H3ClFNS
3,622
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alpha,alpha,alpha-Trifluoro-m-cresol, 98+%

CAS: 98-17-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00002299 InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol PubChem CID: 7376 IUPAC Name: 3-(trifluoromethyl)phenol SMILES: C1=CC(=CC(=C1)O)C(F)(F)F

PubChem CID 7376
CAS 98-17-9
Molecular Weight (g/mol) 162.11
MDL Number MFCD00002299
SMILES C1=CC(=CC(=C1)O)C(F)(F)F
Synonym 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol
IUPAC Name 3-(trifluoromethyl)phenol
InChI Key UGEJOEBBMPOJMT-UHFFFAOYSA-N
Molecular Formula C7H5F3O
3,623

3-Methoxyphenylisothiocyanate, ≥97%, Thermo Scientific™

CAS: 3125-64-2 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00040335 InChI Key: WHBYCPUKGYEYFU-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,# PubChem CID: 137832 IUPAC Name: 1-isothiocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=S

PubChem CID 137832
CAS 3125-64-2
Molecular Weight (g/mol) 165.21
MDL Number MFCD00040335
SMILES COC1=CC=CC(=C1)N=C=S
Synonym 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,#
IUPAC Name 1-isothiocyanato-3-methoxybenzene
InChI Key WHBYCPUKGYEYFU-UHFFFAOYSA-N
Molecular Formula C8H7NOS
3,624
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4-(Trifluoromethyl)phenol, 98%

CAS: 402-45-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00002363 InChI Key: BAYGVMXZJBFEMB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol PubChem CID: 67874 ChEBI: CHEBI:42578 IUPAC Name: 4-(trifluoromethyl)phenol SMILES: C1=CC(=CC=C1C(F)(F)F)O

PubChem CID 67874
CAS 402-45-9
Molecular Weight (g/mol) 162.11
ChEBI CHEBI:42578
MDL Number MFCD00002363
SMILES C1=CC(=CC=C1C(F)(F)F)O
Synonym 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol
IUPAC Name 4-(trifluoromethyl)phenol
InChI Key BAYGVMXZJBFEMB-UHFFFAOYSA-N
Molecular Formula C7H5F3O
3,625
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4-Methoxyphenyl isocyanate, 99%

CAS: 5416-93-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002026 InChI Key: FMDGXCSMDZMDHZ-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene PubChem CID: 79443 IUPAC Name: 1-isocyanato-4-methoxybenzene SMILES: COC1=CC=C(C=C1)N=C=O

PubChem CID 79443
CAS 5416-93-3
Molecular Weight (g/mol) 149.15
MDL Number MFCD00002026
SMILES COC1=CC=C(C=C1)N=C=O
Synonym 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene
IUPAC Name 1-isocyanato-4-methoxybenzene
InChI Key FMDGXCSMDZMDHZ-UHFFFAOYSA-N
Molecular Formula C8H7NO2
3,626
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3-Cyanobenzoic acid, 98%

CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N

PubChem CID 15875
CAS 1877-72-1
Molecular Weight (g/mol) 147.13
MDL Number MFCD00002486
SMILES C1=CC(=CC(=C1)C(=O)O)C#N
Synonym m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid
IUPAC Name 3-cyanobenzoic acid
InChI Key GYLKKXHEIIFTJH-UHFFFAOYSA-N
Molecular Formula C8H5NO2
3,627
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4-Methoxybenzylamine, 98+%

CAS: 2393-23-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00008122 InChI Key: IDPURXSQCKYKIJ-UHFFFAOYSA-N Synonym: 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine PubChem CID: 75452 ChEBI: CHEBI:49837 IUPAC Name: (4-methoxyphenyl)methanamine SMILES: COC1=CC=C(C=C1)CN

PubChem CID 75452
CAS 2393-23-9
Molecular Weight (g/mol) 137.182
ChEBI CHEBI:49837
MDL Number MFCD00008122
SMILES COC1=CC=C(C=C1)CN
Synonym 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine
IUPAC Name (4-methoxyphenyl)methanamine
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
3,628
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2-Chloro-5-nitrobenzotrifluoride, 98%

CAS: 777-37-7 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007296 InChI Key: HQROXDLWVGFPDE-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride PubChem CID: 61213 IUPAC Name: 1-chloro-4-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F

PubChem CID 61213
CAS 777-37-7
Molecular Weight (g/mol) 225.55
MDL Number MFCD00007296
SMILES [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F
Synonym 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride
IUPAC Name 1-chloro-4-nitro-2-(trifluoromethyl)benzene
InChI Key HQROXDLWVGFPDE-UHFFFAOYSA-N
Molecular Formula C7H3ClF3NO2
3,629
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2-(Trifluoromethyl)benzoyl chloride, 98%

CAS: 312-94-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000667 InChI Key: MXIUWSYTQJLIKE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoyl chloride,o-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-o-toluoyl chloride,2-trifluoromethyl benzoylchloride,unii-d01d0b64eq,otf-boc,2-trifluoromethyl-benzoyl chloride,o-trifluoromethyl benzoyl chloride PubChem CID: 67561 IUPAC Name: 2-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=CC=C1C(Cl)=O

PubChem CID 67561
CAS 312-94-7
Molecular Weight (g/mol) 208.56
MDL Number MFCD00000667
SMILES FC(F)(F)C1=CC=CC=C1C(Cl)=O
Synonym 2-trifluoromethyl benzoyl chloride,o-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-o-toluoyl chloride,2-trifluoromethyl benzoylchloride,unii-d01d0b64eq,otf-boc,2-trifluoromethyl-benzoyl chloride,o-trifluoromethyl benzoyl chloride
IUPAC Name 2-(trifluoromethyl)benzoyl chloride
InChI Key MXIUWSYTQJLIKE-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
3,630
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2-Methoxyphenylboronic acid, 97%

CAS: 5720-06-9 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00236047 InChI Key: ROEQGIFOWRQYHD-UHFFFAOYSA-N SMILES: COC1=CC=CC=C1B(O)O

CAS 5720-06-9
Molecular Weight (g/mol) 151.96
MDL Number MFCD00236047
SMILES COC1=CC=CC=C1B(O)O
InChI Key ROEQGIFOWRQYHD-UHFFFAOYSA-N
Molecular Formula C7H9BO3