Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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7,576 – 7,590 of 78,418 results

7,576

Methyl 4-Methylsalicylate 98.0+%, TCI America™

CAS: 4670-56-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00020130 InChI Key: UITFCFWKYAOJEJ-UHFFFAOYSA-N Synonym: methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate PubChem CID: 78400 IUPAC Name: methyl 2-hydroxy-4-methylbenzoate SMILES: CC1=CC(=C(C=C1)C(=O)OC)O

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PubChem CID	78400
CAS	4670-56-8
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00020130
SMILES	CC1=CC(=C(C=C1)C(=O)OC)O
Synonym	methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate
IUPAC Name	methyl 2-hydroxy-4-methylbenzoate
InChI Key	UITFCFWKYAOJEJ-UHFFFAOYSA-N
Molecular Formula	C9H10O3

7,577

Amyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 6521-29-5 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00016479 InChI Key: ZNSSPLQZSUWFJT-UHFFFAOYSA-N PubChem CID: 23019 IUPAC Name: pentyl 4-hydroxybenzoate SMILES: CCCCCOC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	23019
CAS	6521-29-5
Molecular Weight (g/mol)	208.26
MDL Number	MFCD00016479
SMILES	CCCCCOC(=O)C1=CC=C(O)C=C1
IUPAC Name	pentyl 4-hydroxybenzoate
InChI Key	ZNSSPLQZSUWFJT-UHFFFAOYSA-N
Molecular Formula	C12H16O3

7,578

Methyl 5-Formylsalicylate 98.0+%, TCI America™

CAS: 41489-76-3 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD03840784 InChI Key: XJKWVPNWHOCFBR-UHFFFAOYSA-N Synonym: 5-Formylsalicylic Acid Methyl Ester, Methyl 5-Formyl-2-hydroxybenzoate, 5-Formyl-2-hydroxybenzoic Acid Methyl Ester PubChem CID: 14363598 IUPAC Name: methyl 5-formyl-2-hydroxybenzoate SMILES: COC(=O)C1=C(O)C=CC(C=O)=C1

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Specifications

PubChem CID	14363598
CAS	41489-76-3
Molecular Weight (g/mol)	180.16
MDL Number	MFCD03840784
SMILES	COC(=O)C1=C(O)C=CC(C=O)=C1
Synonym	5-Formylsalicylic Acid Methyl Ester, Methyl 5-Formyl-2-hydroxybenzoate, 5-Formyl-2-hydroxybenzoic Acid Methyl Ester
IUPAC Name	methyl 5-formyl-2-hydroxybenzoate
InChI Key	XJKWVPNWHOCFBR-UHFFFAOYSA-N
Molecular Formula	C9H8O4

7,579

Isobutyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 2-3-4247 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020167 InChI Key: XPJVKCRENWUEJH-UHFFFAOYSA-N Synonym: isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g PubChem CID: 20240 IUPAC Name: 2-methylpropyl 4-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O

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Specifications

PubChem CID	20240
CAS	2-3-4247
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00020167
SMILES	CC(C)COC(=O)C1=CC=C(C=C1)O
Synonym	isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g
IUPAC Name	2-methylpropyl 4-hydroxybenzoate
InChI Key	XPJVKCRENWUEJH-UHFFFAOYSA-N
Molecular Formula	C11H14O3

7,580

Ethyl 6-Methylsalicylate 98.0+%, TCI America™

CAS: 6555-40-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD01194299 InChI Key: KWXBNUYCDMPLEQ-UHFFFAOYSA-N Synonym: Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester PubChem CID: 584222 IUPAC Name: ethyl 2-hydroxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=CC=C1O)C

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Specifications

PubChem CID	584222
CAS	6555-40-4
Molecular Weight (g/mol)	180.203
MDL Number	MFCD01194299
SMILES	CCOC(=O)C1=C(C=CC=C1O)C
Synonym	Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester
IUPAC Name	ethyl 2-hydroxy-6-methylbenzoate
InChI Key	KWXBNUYCDMPLEQ-UHFFFAOYSA-N
Molecular Formula	C10H12O3

7,581

2-Bromo-3-nitrotoluene 98.0+%, TCI America™

CAS: 41085-43-2 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00134555 InChI Key: GCAAVRIWNMTOKB-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t PubChem CID: 231828 IUPAC Name: 2-bromo-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Br)[N+]([O-])=O

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Specifications

PubChem CID	231828
CAS	41085-43-2
Molecular Weight (g/mol)	216.03
MDL Number	MFCD00134555
SMILES	CC1=CC=CC(=C1Br)[N+]([O-])=O
Synonym	2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t
IUPAC Name	2-bromo-1-methyl-3-nitrobenzene
InChI Key	GCAAVRIWNMTOKB-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

7,582

2-Fluoro-3-nitrotoluene 98.0+%, TCI America™

CAS: 437-86-5 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD03412242 InChI Key: NBCNUIXYBLFJMI-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene PubChem CID: 13470957 IUPAC Name: 2-fluoro-1-methyl-3-nitrobenzene SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])F

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Specifications

PubChem CID	13470957
CAS	437-86-5
Molecular Weight (g/mol)	155.128
MDL Number	MFCD03412242
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])F
Synonym	2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene
IUPAC Name	2-fluoro-1-methyl-3-nitrobenzene
InChI Key	NBCNUIXYBLFJMI-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

7,583

2-Chloro-5-nitrotoluene 98.0+%, TCI America™

CAS: 13290-74-9 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00041430 InChI Key: BGDCQZFFNFXYQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrotoluene,benzene, 1-chloro-2-methyl-4-nitro,4-chloro-3-methylnitrobenzene,1-chloro-2-methyl-4-nitro-benzene,3-nitro-6-chlorotoluene,2-methyl-4-nitrochlorobenzene,pubchem2137,2-chloro-5-nitroluene,acmc-209bqf,5-nitro-2-chlorotoluene PubChem CID: 83315 IUPAC Name: 1-chloro-2-methyl-4-nitrobenzene SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

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Specifications

PubChem CID	83315
CAS	13290-74-9
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00041430
SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
Synonym	2-chloro-5-nitrotoluene,benzene, 1-chloro-2-methyl-4-nitro,4-chloro-3-methylnitrobenzene,1-chloro-2-methyl-4-nitro-benzene,3-nitro-6-chlorotoluene,2-methyl-4-nitrochlorobenzene,pubchem2137,2-chloro-5-nitroluene,acmc-209bqf,5-nitro-2-chlorotoluene
IUPAC Name	1-chloro-2-methyl-4-nitrobenzene
InChI Key	BGDCQZFFNFXYQC-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

7,584

2-Methyl-4-nitroaniline 99.0+%, TCI America™

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

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Specifications

PubChem CID	7441
CAS	99-52-5
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00007734
SMILES	CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym	2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name	2-methyl-4-nitroaniline
InChI Key	XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

7,585

Nalpha-(2,4-Dinitrophenyl)-L-arginine 98.0+%, TCI America™

CAS: 1602-42-2 Molecular Formula: C12H16N6O6 Molecular Weight (g/mol): 340.30 MDL Number: MFCD00038105 InChI Key: GZJXZYUXRVBOAH-UHFFFAOYNA-N Synonym: Nalpha-Dnp-L-arginine, Dnp-Arg-OH PubChem CID: 7083742 IUPAC Name: 5-[(diaminomethylidene)amino]-2-[(2,4-dinitrophenyl)amino]pentanoic acid SMILES: NC(N)=NCCCC(NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

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PubChem CID	7083742
CAS	1602-42-2
Molecular Weight (g/mol)	340.30
MDL Number	MFCD00038105
SMILES	NC(N)=NCCCC(NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Synonym	Nalpha-Dnp-L-arginine, Dnp-Arg-OH
IUPAC Name	5-[(diaminomethylidene)amino]-2-[(2,4-dinitrophenyl)amino]pentanoic acid
InChI Key	GZJXZYUXRVBOAH-UHFFFAOYNA-N
Molecular Formula	C12H16N6O6

7,586

4,4'-Azoxydianisole 97.0+%, TCI America™

CAS: 1562-94-3 Molecular Formula: C14H14N2O3 Molecular Weight (g/mol): 258.277 MDL Number: MFCD00008400 InChI Key: KAEZRSFWWCTVNP-UHFFFAOYSA-N Synonym: 4,4'-azoxyanisole,p-azoxyanisole,4,4'-azoxydianisole,p-azoxydianisole,p,p'-azoxyanisole,4,4'-dimethoxyazoxybenzene,p,p'-azoxydianisole,paa liquid crystal,p,p'-dimethoxyazoxybenzene,azoxybenzene, 4,4'-dimethoxy PubChem CID: 15277 IUPAC Name: (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium SMILES: COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]

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Specifications

PubChem CID	15277
CAS	1562-94-3
Molecular Weight (g/mol)	258.277
MDL Number	MFCD00008400
SMILES	COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]
Synonym	4,4'-azoxyanisole,p-azoxyanisole,4,4'-azoxydianisole,p-azoxydianisole,p,p'-azoxyanisole,4,4'-dimethoxyazoxybenzene,p,p'-azoxydianisole,paa liquid crystal,p,p'-dimethoxyazoxybenzene,azoxybenzene, 4,4'-dimethoxy
IUPAC Name	(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium
InChI Key	KAEZRSFWWCTVNP-UHFFFAOYSA-N
Molecular Formula	C14H14N2O3

7,587

2,4,6-Tribromoaniline 98.0+%, TCI America™

CAS: 147-82-0 Molecular Formula: C6H4Br3N Molecular Weight (g/mol): 329.82 MDL Number: MFCD00007634 InChI Key: GVPODVKBTHCGFU-UHFFFAOYSA-N Synonym: benzenamine, 2,4,6-tribromo,s-tribromoaniline,2,4,6-tribromophenylamine,2,4,6-tribromobenzenamine,sym-tribromoaniline,aniline tribromide,tribromoaniline,usaf do-43,aniline, 2,4,6-tribromo,2,4,6-tribomoaniline PubChem CID: 8986 IUPAC Name: 2,4,6-tribromoaniline SMILES: NC1=C(Br)C=C(Br)C=C1Br

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Specifications

PubChem CID	8986
CAS	147-82-0
Molecular Weight (g/mol)	329.82
MDL Number	MFCD00007634
SMILES	NC1=C(Br)C=C(Br)C=C1Br
Synonym	benzenamine, 2,4,6-tribromo,s-tribromoaniline,2,4,6-tribromophenylamine,2,4,6-tribromobenzenamine,sym-tribromoaniline,aniline tribromide,tribromoaniline,usaf do-43,aniline, 2,4,6-tribromo,2,4,6-tribomoaniline
IUPAC Name	2,4,6-tribromoaniline
InChI Key	GVPODVKBTHCGFU-UHFFFAOYSA-N
Molecular Formula	C6H4Br3N

7,588

3-Bromo-2-methoxyaniline 98.0+%, TCI America™

CAS: 116557-46-1 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD13186737 InChI Key: ZLODWCIXZJMLJL-UHFFFAOYSA-N Synonym: 2-Amino-6-bromoanisole, 3-Bromo-o-anisidine PubChem CID: 22667735 IUPAC Name: 3-bromo-2-methoxyaniline SMILES: COC1=C(C=CC=C1Br)N

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Specifications

PubChem CID	22667735
CAS	116557-46-1
Molecular Weight (g/mol)	202.051
MDL Number	MFCD13186737
SMILES	COC1=C(C=CC=C1Br)N
Synonym	2-Amino-6-bromoanisole, 3-Bromo-o-anisidine
IUPAC Name	3-bromo-2-methoxyaniline
InChI Key	ZLODWCIXZJMLJL-UHFFFAOYSA-N
Molecular Formula	C7H8BrNO

7,589

2-Bromo-4-chloro-6-fluoroaniline 98.0+%, TCI America™

CAS: 195191-47-0 Molecular Formula: C6H4BrClFN Molecular Weight (g/mol): 224.46 MDL Number: MFCD00070746 InChI Key: HBHBARSMRVAINH-UHFFFAOYSA-N Synonym: 6-bromo-4-chloro-2-fluoroaniline,2-amino-1-bromo-5-chloro-3-fluorobenzene,2-fluoro-4-chloro-6-bromoaniline,benzenamine, 2-bromo-4-chloro-6-fluoro,pubchem2916,acmc-1cbvw,2-bromo-4-chloro-6-fluoro-aniline,2-fluoro-4-chloro-6-bromo aniline,2-bromo-4-chloro-6-fluorobenzenamine,2-bromo-4-chloro-6-fluorophenylamine PubChem CID: 2736222 IUPAC Name: 2-bromo-4-chloro-6-fluoroaniline SMILES: NC1=C(Br)C=C(Cl)C=C1F

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Specifications

PubChem CID	2736222
CAS	195191-47-0
Molecular Weight (g/mol)	224.46
MDL Number	MFCD00070746
SMILES	NC1=C(Br)C=C(Cl)C=C1F
Synonym	6-bromo-4-chloro-2-fluoroaniline,2-amino-1-bromo-5-chloro-3-fluorobenzene,2-fluoro-4-chloro-6-bromoaniline,benzenamine, 2-bromo-4-chloro-6-fluoro,pubchem2916,acmc-1cbvw,2-bromo-4-chloro-6-fluoro-aniline,2-fluoro-4-chloro-6-bromo aniline,2-bromo-4-chloro-6-fluorobenzenamine,2-bromo-4-chloro-6-fluorophenylamine
IUPAC Name	2-bromo-4-chloro-6-fluoroaniline
InChI Key	HBHBARSMRVAINH-UHFFFAOYSA-N
Molecular Formula	C6H4BrClFN

7,590

2,3,6,7,10,11-Hexamethoxytriphenylene 95.0+%, TCI America™

CAS: 808-57-1 Molecular Formula: C24H24O6 Molecular Weight (g/mol): 408.45 MDL Number: MFCD00075571 InChI Key: TXROZCSFVVIBFI-UHFFFAOYSA-N PubChem CID: 4607363 IUPAC Name: 2,3,6,7,10,11-hexamethoxytriphenylene SMILES: COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC)OC)OC)OC)OC

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Specifications

PubChem CID	4607363
CAS	808-57-1
Molecular Weight (g/mol)	408.45
MDL Number	MFCD00075571
SMILES	COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OC)OC)OC)OC)OC
IUPAC Name	2,3,6,7,10,11-hexamethoxytriphenylene
InChI Key	TXROZCSFVVIBFI-UHFFFAOYSA-N
Molecular Formula	C24H24O6

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