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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6,631 – 6,645 of 57,364 results

6,631

2-Chloroanisole 98.0+%, TCI America™

CAS: 766-51-8 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000557 InChI Key: QGRPVMLBTFGQDQ-UHFFFAOYSA-N Synonym: 2-chloroanisole,o-chloroanisole,benzene, 1-chloro-2-methoxy,anisole, o-chloro,o-chloromethoxybenzene,o-chlorophenyl methyl ether,2-chlorophenol methyl ether,chloroanisole,1-chloro-2-methoxy-benzene,labotest-bb ltbb002921 PubChem CID: 13011 IUPAC Name: 1-chloro-2-methoxybenzene SMILES: COC1=CC=CC=C1Cl

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Specifications

PubChem CID	13011
CAS	766-51-8
Molecular Weight (g/mol)	142.582
MDL Number	MFCD00000557
SMILES	COC1=CC=CC=C1Cl
Synonym	2-chloroanisole,o-chloroanisole,benzene, 1-chloro-2-methoxy,anisole, o-chloro,o-chloromethoxybenzene,o-chlorophenyl methyl ether,2-chlorophenol methyl ether,chloroanisole,1-chloro-2-methoxy-benzene,labotest-bb ltbb002921
IUPAC Name	1-chloro-2-methoxybenzene
InChI Key	QGRPVMLBTFGQDQ-UHFFFAOYSA-N
Molecular Formula	C7H7ClO

6,632

4-(4-Hydroxy-3-methoxyphenyl)-2-butanone 98.0+%, TCI America™

CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC

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Specifications

PubChem CID	31211
CAS	122-48-5
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:68657
MDL Number	MFCD00048232
SMILES	CC(=O)CCC1=CC(=C(C=C1)O)OC
Synonym	zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl
IUPAC Name	4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChI Key	OJYLAHXKWMRDGS-UHFFFAOYSA-N
Molecular Formula	C11H14O3

6,633

N-(4-Methoxybenzylidene)-4-hydroxyaniline 98.0+%, TCI America™

CAS: 3230-39-5 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.263 MDL Number: MFCD00037176 InChI Key: YONXPYGTYHMKDH-UHFFFAOYSA-N Synonym: N-(p-Anisal)-4-hydroxyaniline, N-(p-Anisylidene)-4-hydroxyaniline, 4-[(4-Methoxybenzylidene)amino]phenol PubChem CID: 97286 IUPAC Name: 4-[(4-methoxyphenyl)methylideneamino]phenol SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O

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Specifications

PubChem CID	97286
CAS	3230-39-5
Molecular Weight (g/mol)	227.263
MDL Number	MFCD00037176
SMILES	COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O
Synonym	N-(p-Anisal)-4-hydroxyaniline, N-(p-Anisylidene)-4-hydroxyaniline, 4-[(4-Methoxybenzylidene)amino]phenol
IUPAC Name	4-[(4-methoxyphenyl)methylideneamino]phenol
InChI Key	YONXPYGTYHMKDH-UHFFFAOYSA-N
Molecular Formula	C14H13NO2

6,634

4',6,7-Trimethoxyisoflavone 97.0+%, TCI America™

CAS: 798-61-8 Molecular Formula: C18H16O5 Molecular Weight (g/mol): 312.321 MDL Number: MFCD00016949 InChI Key: YHXIOAVHEXKZCQ-UHFFFAOYSA-N Synonym: 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone PubChem CID: 688655 IUPAC Name: 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC

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Specifications

PubChem CID	688655
CAS	798-61-8
Molecular Weight (g/mol)	312.321
MDL Number	MFCD00016949
SMILES	COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC
Synonym	6,7-Dimethoxy-3-(4-methoxyphenyl)chromone
IUPAC Name	6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key	YHXIOAVHEXKZCQ-UHFFFAOYSA-N
Molecular Formula	C18H16O5

6,635

3,5-Difluoroanisole 97.0+%, TCI America™

CAS: 93343-10-3 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00042560 InChI Key: OTGQPYSISUUHAF-UHFFFAOYSA-N Synonym: 3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole; PubChem CID: 2724518 IUPAC Name: 1,3-difluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(F)=C1

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Specifications

PubChem CID	2724518
CAS	93343-10-3
Molecular Weight (g/mol)	144.12
MDL Number	MFCD00042560
SMILES	COC1=CC(F)=CC(F)=C1
Synonym	3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole;
IUPAC Name	1,3-difluoro-5-methoxybenzene
InChI Key	OTGQPYSISUUHAF-UHFFFAOYSA-N
Molecular Formula	C7H6F2O

6,636

2-Methoxybenzonitrile 98.0+%, TCI America™

CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

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Specifications

PubChem CID	81086
CAS	6609-56-9
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001783
SMILES	COC1=CC=CC=C1C#N
Synonym	2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name	2-methoxybenzonitrile
InChI Key	FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula	C8H7NO

6,637

2-Fluoro-6-methoxybenzonitrile 98.0+%, TCI America™

CAS: 94088-46-7 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00042291 InChI Key: YPMSIWYNTPSPMV-UHFFFAOYSA-N Synonym: 2-cyano-3-fluoroanisole,benzonitrile, 2-fluoro-6-methoxy,6-fluoro-o-anisonitrile,2-fluoro-6-methoxybenzenecarbonitrile,buttpark 45\03-64,pubchem10117,acmc-209rov,ksc494m1p,2-fluoro-6-methoxycyanobenzene PubChem CID: 523101 IUPAC Name: 2-fluoro-6-methoxybenzonitrile SMILES: COC1=C(C(=CC=C1)F)C#N

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Specifications

PubChem CID	523101
CAS	94088-46-7
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00042291
SMILES	COC1=C(C(=CC=C1)F)C#N
Synonym	2-cyano-3-fluoroanisole,benzonitrile, 2-fluoro-6-methoxy,6-fluoro-o-anisonitrile,2-fluoro-6-methoxybenzenecarbonitrile,buttpark 45\03-64,pubchem10117,acmc-209rov,ksc494m1p,2-fluoro-6-methoxycyanobenzene
IUPAC Name	2-fluoro-6-methoxybenzonitrile
InChI Key	YPMSIWYNTPSPMV-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

6,638

3,4,5-Trimethoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

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Specifications

PubChem CID	70372
CAS	951-82-6
Molecular Weight (g/mol)	226.228
MDL Number	MFCD00004336
SMILES	COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym	3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key	DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula	C11H14O5

6,639

3-Fluoroanisole 99.0+%, TCI America™

CAS: 456-49-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000335 InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N Synonym: 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro PubChem CID: 9975 IUPAC Name: 1-fluoro-3-methoxybenzene SMILES: COC1=CC=CC(F)=C1

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Specifications

PubChem CID	9975
CAS	456-49-5
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00000335
SMILES	COC1=CC=CC(F)=C1
Synonym	3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro
IUPAC Name	1-fluoro-3-methoxybenzene
InChI Key	MFJNOXOAIFNSBX-UHFFFAOYSA-N
Molecular Formula	C7H7FO

6,640

2-Fluoro-5-methoxybenzonitrile 98.0+%, TCI America™

CAS: 127667-01-0 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00142921 InChI Key: VBZLRHYLNXWZIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 PubChem CID: 2774546 IUPAC Name: 2-fluoro-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(F)C=C1

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Specifications

PubChem CID	2774546
CAS	127667-01-0
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00142921
SMILES	COC1=CC(C#N)=C(F)C=C1
Synonym	2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21
IUPAC Name	2-fluoro-5-methoxybenzonitrile
InChI Key	VBZLRHYLNXWZIU-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

6,641

2-Methoxybiphenyl 98.0+%, TCI America™

CAS: 86-26-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00008367 InChI Key: NLWCWEGVNJVLAX-UHFFFAOYSA-N Synonym: 2-methoxybiphenyl,2-phenylanisole,1,1'-biphenyl, 2-methoxy,o-phenylanisole,anisole, o-phenyl,methyl diphenyl ether,o-phenyl anisole,biphenyl-2-yl methyl ether,2-methoxy-1,1'-biphenyl,2-methoxy-biphenylate PubChem CID: 6835 IUPAC Name: 2-methoxy-1,1'-biphenyl SMILES: COC1=CC=CC=C1C1=CC=CC=C1

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Specifications

PubChem CID	6835
CAS	86-26-0
Molecular Weight (g/mol)	184.24
MDL Number	MFCD00008367
SMILES	COC1=CC=CC=C1C1=CC=CC=C1
Synonym	2-methoxybiphenyl,2-phenylanisole,1,1'-biphenyl, 2-methoxy,o-phenylanisole,anisole, o-phenyl,methyl diphenyl ether,o-phenyl anisole,biphenyl-2-yl methyl ether,2-methoxy-1,1'-biphenyl,2-methoxy-biphenylate
IUPAC Name	2-methoxy-1,1'-biphenyl
InChI Key	NLWCWEGVNJVLAX-UHFFFAOYSA-N
Molecular Formula	C13H12O

6,642

5-Bromo-2-methoxytoluene 98.0+%, TCI America™

CAS: 14804-31-0 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD01321139 InChI Key: UDLRGQOHGYWLCS-UHFFFAOYSA-N Synonym: 4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole PubChem CID: 608315 IUPAC Name: 4-bromo-1-methoxy-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)OC

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Specifications

PubChem CID	608315
CAS	14804-31-0
Molecular Weight (g/mol)	201.063
MDL Number	MFCD01321139
SMILES	CC1=C(C=CC(=C1)Br)OC
Synonym	4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole
IUPAC Name	4-bromo-1-methoxy-2-methylbenzene
InChI Key	UDLRGQOHGYWLCS-UHFFFAOYSA-N
Molecular Formula	C8H9BrO

6,643

3-Ethoxy-4-methoxybenzonitrile 98.0+%, TCI America™

CAS: 60758-86-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD02256160 InChI Key: XTIINWPNAMHVDG-UHFFFAOYSA-N PubChem CID: 3934769 IUPAC Name: 3-ethoxy-4-methoxybenzonitrile SMILES: CCOC1=C(C=CC(=C1)C#N)OC

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Specifications

PubChem CID	3934769
CAS	60758-86-3
Molecular Weight (g/mol)	177.203
MDL Number	MFCD02256160
SMILES	CCOC1=C(C=CC(=C1)C#N)OC
IUPAC Name	3-ethoxy-4-methoxybenzonitrile
InChI Key	XTIINWPNAMHVDG-UHFFFAOYSA-N
Molecular Formula	C10H11NO2

6,644

Anisonitrile 98.0+%, TCI America™

CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	70129
CAS	874-90-8
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001818
SMILES	COC1=CC=C(C=C1)C#N
Synonym	anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name	4-methoxybenzonitrile
InChI Key	XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula	C8H7NO

6,645

2-Methoxytoluene 98.0+%, TCI America™

CAS: 578-58-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC

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Specifications

PubChem CID	33637
CAS	578-58-5
Molecular Weight (g/mol)	122.167
MDL Number	MFCD00008373
SMILES	CC1=CC=CC=C1OC
Synonym	2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene
IUPAC Name	1-methoxy-2-methylbenzene
InChI Key	DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Molecular Formula	C8H10O

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