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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6,691 – 6,705 of 78,441 results

6,691

2,2'-Biphenyldicarboxylic Acid 98.0+%, TCI America™

CAS: 482-05-3 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00002464 InChI Key: GWZCCUDJHOGOSO-UHFFFAOYSA-N Synonym: diphenic acid,1,1'-biphenyl-2,2'-dicarboxylic acid,2,2'-biphenyldicarboxylic acid,2,2'-bibenzoic acid,biphenyl-2,2'-dicarboxylic acid,2,2'-dicarboxybiphenyl,2,2'-diphenic acid,2-2-carboxyphenyl benzoic acid,o,o'-diphenic acid,o,o'-bibenzoic acid PubChem CID: 10210 ChEBI: CHEBI:23837 IUPAC Name: 2-(2-carboxyphenyl)benzoic acid SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O

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Specifications

PubChem CID	10210
CAS	482-05-3
Molecular Weight (g/mol)	242.23
ChEBI	CHEBI:23837
MDL Number	MFCD00002464
SMILES	C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O
Synonym	diphenic acid,1,1'-biphenyl-2,2'-dicarboxylic acid,2,2'-biphenyldicarboxylic acid,2,2'-bibenzoic acid,biphenyl-2,2'-dicarboxylic acid,2,2'-dicarboxybiphenyl,2,2'-diphenic acid,2-2-carboxyphenyl benzoic acid,o,o'-diphenic acid,o,o'-bibenzoic acid
IUPAC Name	2-(2-carboxyphenyl)benzoic acid
InChI Key	GWZCCUDJHOGOSO-UHFFFAOYSA-N
Molecular Formula	C14H10O4

6,692

3-Chloro-2,4-difluorobenzoic Acid 98.0+%, TCI America™

CAS: 154257-75-7 Molecular Formula: C7H2ClF2O2 Molecular Weight (g/mol): 191.54 MDL Number: MFCD01631387 InChI Key: YGYZTZAEZMCPSC-UHFFFAOYSA-M Synonym: 3-chloro-2,4-difluoro-benzoic acid,2,4-difluoro-3-chlorobenzoic acid,3-chloro-2,4-difluorobenzoicacid,benzoic acid, 3-chloro-2,4-difluoro,pubchem2217,acmc-1byme,intermediates-zcf02173,ksc181k3p PubChem CID: 2773532 IUPAC Name: 3-chloro-2,4-difluorobenzoate SMILES: [O-]C(=O)C1=CC=C(F)C(Cl)=C1F

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Specifications

PubChem CID	2773532
CAS	154257-75-7
Molecular Weight (g/mol)	191.54
MDL Number	MFCD01631387
SMILES	[O-]C(=O)C1=CC=C(F)C(Cl)=C1F
Synonym	3-chloro-2,4-difluoro-benzoic acid,2,4-difluoro-3-chlorobenzoic acid,3-chloro-2,4-difluorobenzoicacid,benzoic acid, 3-chloro-2,4-difluoro,pubchem2217,acmc-1byme,intermediates-zcf02173,ksc181k3p
IUPAC Name	3-chloro-2,4-difluorobenzoate
InChI Key	YGYZTZAEZMCPSC-UHFFFAOYSA-M
Molecular Formula	C7H2ClF2O2

6,693

Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate 98.0+%, TCI America™

CAS: 57113-90-3 Molecular Formula: C13H16N2O6 Molecular Weight (g/mol): 296.279 MDL Number: MFCD06797690 InChI Key: VEDIIGMQOAWKGH-UHFFFAOYSA-N Synonym: 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester PubChem CID: 9965968 IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	9965968
CAS	57113-90-3
Molecular Weight (g/mol)	296.279
MDL Number	MFCD06797690
SMILES	CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
Synonym	2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
InChI Key	VEDIIGMQOAWKGH-UHFFFAOYSA-N
Molecular Formula	C13H16N2O6

6,694

4-Iodo-4'-propylbiphenyl 98.0+%, TCI America™

CAS: 782477-81-0 Molecular Formula: C15H15I Molecular Weight (g/mol): 322.19 MDL Number: MFCD12923241 InChI Key: MKDLYSABBHXXSV-UHFFFAOYSA-N PubChem CID: 53401151 IUPAC Name: 4-iodo-4'-propyl-1,1'-biphenyl SMILES: CCCC1=CC=C(C=C1)C1=CC=C(I)C=C1

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Specifications

PubChem CID	53401151
CAS	782477-81-0
Molecular Weight (g/mol)	322.19
MDL Number	MFCD12923241
SMILES	CCCC1=CC=C(C=C1)C1=CC=C(I)C=C1
IUPAC Name	4-iodo-4'-propyl-1,1'-biphenyl
InChI Key	MKDLYSABBHXXSV-UHFFFAOYSA-N
Molecular Formula	C15H15I

6,695

[3-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 1204518-08-0 Molecular Formula: C17H15F6IO3S Molecular Weight (g/mol): 540.259 MDL Number: MFCD20264880 InChI Key: FKQZCCNYTGBVPK-UHFFFAOYSA-M Synonym: Mesityl[3-(trifluoromethyl)phenyl]iodonium Triflate PubChem CID: 45379265 IUPAC Name: trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium SMILES: CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]

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Specifications

PubChem CID	45379265
CAS	1204518-08-0
Molecular Weight (g/mol)	540.259
MDL Number	MFCD20264880
SMILES	CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym	Mesityl[3-(trifluoromethyl)phenyl]iodonium Triflate
IUPAC Name	trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
InChI Key	FKQZCCNYTGBVPK-UHFFFAOYSA-M
Molecular Formula	C17H15F6IO3S

6,696

2-Chloro-4-methylaniline 98.0+%, TCI America™

CAS: 615-65-6 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00007666 InChI Key: XGYLSRFSXKAYCR-UHFFFAOYSA-N Synonym: 2-chloro-p-toluidine,benzenamine, 2-chloro-4-methyl,4-amino-3-chlorotoluene,p-toluidine, 2-chloro,2-chlor-4-toluidin,4-methyl-2-chloroaniline,unii-k59isj2ko1,2-chlor-4-toluidin czech,ccris 2887,3-chloro-4-aminotoluene PubChem CID: 12007 IUPAC Name: 2-chloro-4-methylaniline SMILES: CC1=CC(=C(C=C1)N)Cl

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Specifications

PubChem CID	12007
CAS	615-65-6
Molecular Weight (g/mol)	141.598
MDL Number	MFCD00007666
SMILES	CC1=CC(=C(C=C1)N)Cl
Synonym	2-chloro-p-toluidine,benzenamine, 2-chloro-4-methyl,4-amino-3-chlorotoluene,p-toluidine, 2-chloro,2-chlor-4-toluidin,4-methyl-2-chloroaniline,unii-k59isj2ko1,2-chlor-4-toluidin czech,ccris 2887,3-chloro-4-aminotoluene
IUPAC Name	2-chloro-4-methylaniline
InChI Key	XGYLSRFSXKAYCR-UHFFFAOYSA-N
Molecular Formula	C7H8ClN

6,697

5-Amino-o-cresol 98.0+%, TCI America™

CAS: 2835-95-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00043922 InChI Key: DBFYESDCPWWCHN-UHFFFAOYSA-N Synonym: 5-amino-o-cresol,4-amino-2-hydroxytoluene,3-hydroxy-4-methylaniline,phenol, 5-amino-2-methyl,3-amino-6-methylphenol,6-methyl-3-aminophenol,unii-ubb8xeb10b,5-amino-2-methyl-phenol,5-amino-2-methyl phenol,ccris 4582 PubChem CID: 17818 IUPAC Name: 5-amino-2-methylphenol SMILES: CC1=C(C=C(C=C1)N)O

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Specifications

PubChem CID	17818
CAS	2835-95-2
Molecular Weight (g/mol)	123.155
MDL Number	MFCD00043922
SMILES	CC1=C(C=C(C=C1)N)O
Synonym	5-amino-o-cresol,4-amino-2-hydroxytoluene,3-hydroxy-4-methylaniline,phenol, 5-amino-2-methyl,3-amino-6-methylphenol,6-methyl-3-aminophenol,unii-ubb8xeb10b,5-amino-2-methyl-phenol,5-amino-2-methyl phenol,ccris 4582
IUPAC Name	5-amino-2-methylphenol
InChI Key	DBFYESDCPWWCHN-UHFFFAOYSA-N
Molecular Formula	C7H9NO

6,698

2,4,6-Trimethylbenzoic Acid 98.0+%, TCI America™

CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1

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Specifications

PubChem CID	10194
CAS	480-63-7
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:64830
MDL Number	MFCD00002481
SMILES	CC1=CC(C)=C(C(O)=O)C(C)=C1
Synonym	mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl
IUPAC Name	2,4,6-trimethylbenzoic acid
InChI Key	FFFIRKXTFQCCKJ-UHFFFAOYSA-N
Molecular Formula	C10H12O2

6,699

2,4'-Dimethoxybenzophenone 98.0+%, TCI America™

CAS: 5449-69-4 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD01311508 InChI Key: QWWJLMQOKZOTNX-UHFFFAOYSA-N PubChem CID: 226205 IUPAC Name: (2-methoxyphenyl)-(4-methoxyphenyl)methanone SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC

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Specifications

PubChem CID	226205
CAS	5449-69-4
Molecular Weight (g/mol)	242.274
MDL Number	MFCD01311508
SMILES	COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC
IUPAC Name	(2-methoxyphenyl)-(4-methoxyphenyl)methanone
InChI Key	QWWJLMQOKZOTNX-UHFFFAOYSA-N
Molecular Formula	C15H14O3

6,700

4-Fluoro-3-nitrobenzotrifluoride 95.0+%, TCI America™

CAS: 367-86-2 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007059 InChI Key: HLDFCCHSOZWKAA-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl benzene,benzene, 1-fluoro-2-nitro-4-trifluoromethyl,4-fluoro-3-nitrotrifluoromethylbenzene,3-nitro-4-fluorobenzotrifluoride,3-nitro-alpha,alpha,alpha,4-tetrafluorotoluene,2-fluoro-5-trifluoromethyl nitrobenzene,3-nitro-4-fluoro benzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl-benzene PubChem CID: 67778 IUPAC Name: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])F

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Specifications

PubChem CID	67778
CAS	367-86-2
Molecular Weight (g/mol)	209.1
MDL Number	MFCD00007059
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])F
Synonym	4-fluoro-3-nitrobenzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl benzene,benzene, 1-fluoro-2-nitro-4-trifluoromethyl,4-fluoro-3-nitrotrifluoromethylbenzene,3-nitro-4-fluorobenzotrifluoride,3-nitro-alpha,alpha,alpha,4-tetrafluorotoluene,2-fluoro-5-trifluoromethyl nitrobenzene,3-nitro-4-fluoro benzotrifluoride,1-fluoro-2-nitro-4-trifluoromethyl-benzene
IUPAC Name	1-fluoro-2-nitro-4-(trifluoromethyl)benzene
InChI Key	HLDFCCHSOZWKAA-UHFFFAOYSA-N
Molecular Formula	C7H3F4NO2

6,701

1-Nitroanthraquinone 98.0+%, TCI America™

CAS: 82-34-8 Molecular Formula: C14H7NO4 Molecular Weight (g/mol): 253.213 MDL Number: MFCD00019140 InChI Key: YCANAXVBJKNANM-UHFFFAOYSA-N PubChem CID: 6704 IUPAC Name: 1-nitroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

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Specifications

PubChem CID	6704
CAS	82-34-8
Molecular Weight (g/mol)	253.213
MDL Number	MFCD00019140
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
IUPAC Name	1-nitroanthracene-9,10-dione
InChI Key	YCANAXVBJKNANM-UHFFFAOYSA-N
Molecular Formula	C14H7NO4

6,702

4,4'-Dimethoxybenzophenone 99.0+%, TCI America™

CAS: 90-96-0 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00008404 InChI Key: RFVHVYKVRGKLNK-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzophenone,bis 4-methoxyphenyl methanone,methanone, bis 4-methoxyphenyl,p,p'-dimethoxybenzophenone,dmbp,bis p-anisyl ketone,bis 4-anisyl ketone,bis p-methoxy benzophenone,benzophenone, 4,4'-dimethoxy,1,1-di p-methoxyphenyl-ketone PubChem CID: 7032 IUPAC Name: bis(4-methoxyphenyl)methanone SMILES: COC1=CC=C(C=C1)C(=O)C1=CC=C(OC)C=C1

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Specifications

PubChem CID	7032
CAS	90-96-0
Molecular Weight (g/mol)	242.27
MDL Number	MFCD00008404
SMILES	COC1=CC=C(C=C1)C(=O)C1=CC=C(OC)C=C1
Synonym	4,4'-dimethoxybenzophenone,bis 4-methoxyphenyl methanone,methanone, bis 4-methoxyphenyl,p,p'-dimethoxybenzophenone,dmbp,bis p-anisyl ketone,bis 4-anisyl ketone,bis p-methoxy benzophenone,benzophenone, 4,4'-dimethoxy,1,1-di p-methoxyphenyl-ketone
IUPAC Name	bis(4-methoxyphenyl)methanone
InChI Key	RFVHVYKVRGKLNK-UHFFFAOYSA-N
Molecular Formula	C15H14O3

6,703

(1S,2S)-1,2-Bis(2-hydroxyphenyl)ethylenediamine 97.0+%, TCI America™

CAS: 870991-68-7 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.29 MDL Number: MFCD09751761 InChI Key: MRNPLGLZBUDMRE-UHFFFAOYNA-N Synonym: (1S,2S)-1,2-Diamino-1,2-bis(2-hydroxyphenyl)ethane, 2,2′C-[(1S,2S)-1,2-Diaminoethylene]bisphenol PubChem CID: 16218375 IUPAC Name: 2-[1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol SMILES: NC(C(N)C1=CC=CC=C1O)C1=CC=CC=C1O

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Specifications

PubChem CID	16218375
CAS	870991-68-7
Molecular Weight (g/mol)	244.29
MDL Number	MFCD09751761
SMILES	NC(C(N)C1=CC=CC=C1O)C1=CC=CC=C1O
Synonym	(1S,2S)-1,2-Diamino-1,2-bis(2-hydroxyphenyl)ethane, 2,2′C-[(1S,2S)-1,2-Diaminoethylene]bisphenol
IUPAC Name	2-[1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
InChI Key	MRNPLGLZBUDMRE-UHFFFAOYNA-N
Molecular Formula	C14H16N2O2

6,704

3-(4-Hydroxy-3-methoxyphenyl)-1-propanol 98.0+%, TCI America™

CAS: 2305-13-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00016571 InChI Key: MWOMNLDJNQWJMK-UHFFFAOYSA-N Synonym: Dihydroconiferyl Alcohol PubChem CID: 16822 ChEBI: CHEBI:4559 IUPAC Name: 4-(3-hydroxypropyl)-2-methoxyphenol SMILES: COC1=CC(CCCO)=CC=C1O

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Specifications

PubChem CID	16822
CAS	2305-13-7
Molecular Weight (g/mol)	182.22
ChEBI	CHEBI:4559
MDL Number	MFCD00016571
SMILES	COC1=CC(CCCO)=CC=C1O
Synonym	Dihydroconiferyl Alcohol
IUPAC Name	4-(3-hydroxypropyl)-2-methoxyphenol
InChI Key	MWOMNLDJNQWJMK-UHFFFAOYSA-N
Molecular Formula	C10H14O3

6,705

2-(Trimethylsilyl)phenyl Trifluoromethanesulfonate 95.0+%, TCI America™

CAS: 88284-48-4 Molecular Formula: C10H13F3O3SSi Molecular Weight (g/mol): 298.351 MDL Number: MFCD00799598 InChI Key: XBHPFCIWRHJDCP-UHFFFAOYSA-N Synonym: 2-(Trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester PubChem CID: 3384007 IUPAC Name: (2-trimethylsilylphenyl) trifluoromethanesulfonate SMILES: C[Si](C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	3384007
CAS	88284-48-4
Molecular Weight (g/mol)	298.351
MDL Number	MFCD00799598
SMILES	C[Si](C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
Synonym	2-(Trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester
IUPAC Name	(2-trimethylsilylphenyl) trifluoromethanesulfonate
InChI Key	XBHPFCIWRHJDCP-UHFFFAOYSA-N
Molecular Formula	C10H13F3O3SSi

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