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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7,006 – 7,020 of 78,442 results

7,006

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

7,007

2-Methyl-5-nitrobenzotrifluoride 98.0+%, TCI America™

CAS: 89976-12-5 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD01631684 InChI Key: SVQCVQCIZWSPPX-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzotrifluoride,1-methyl-4-nitro-2-trifluoromethyl benzene,2-trifluoromethyl-4-nitrotoluene,4-nitro-2-trifluoromethyl toluene,1-methyl-4-nitro-2-trifluoromethyl-benzene,benzene, 1-methyl-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-methylnitrobenzene,2-trifluoromethyl-1-methyl-4-nitrobenzene,pubchem4444 PubChem CID: 2775447 IUPAC Name: 1-methyl-4-nitro-2-(trifluoromethyl)benzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

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Specifications

PubChem CID	2775447
CAS	89976-12-5
Molecular Weight (g/mol)	205.136
MDL Number	MFCD01631684
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
Synonym	2-methyl-5-nitrobenzotrifluoride,1-methyl-4-nitro-2-trifluoromethyl benzene,2-trifluoromethyl-4-nitrotoluene,4-nitro-2-trifluoromethyl toluene,1-methyl-4-nitro-2-trifluoromethyl-benzene,benzene, 1-methyl-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-methylnitrobenzene,2-trifluoromethyl-1-methyl-4-nitrobenzene,pubchem4444
IUPAC Name	1-methyl-4-nitro-2-(trifluoromethyl)benzene
InChI Key	SVQCVQCIZWSPPX-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO2

7,008

Sodium Hippurate 98.0+%, TCI America™

CAS: 532-94-5 Molecular Formula: C9H8NNaO3 Molecular Weight (g/mol): 201.157 MDL Number: MFCD00002693 InChI Key: ZBCAZEFVTIBZJS-UHFFFAOYSA-M Synonym: sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt PubChem CID: 516953 IUPAC Name: sodium;2-benzamidoacetate SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]

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Specifications

PubChem CID	516953
CAS	532-94-5
Molecular Weight (g/mol)	201.157
MDL Number	MFCD00002693
SMILES	C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]
Synonym	sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt
IUPAC Name	sodium;2-benzamidoacetate
InChI Key	ZBCAZEFVTIBZJS-UHFFFAOYSA-M
Molecular Formula	C9H8NNaO3

7,009

3-Methoxy-4-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 5081-36-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007353 InChI Key: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	78764
CAS	5081-36-7
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00007353
SMILES	COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym	3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid
InChI Key	PWURRRRGLCVBMX-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

7,010

Sodium 4-Amino-1,5-naphthalenedisulfonate 98.0+%, TCI America™

CAS: 85328-80-9 Molecular Formula: C10H9NNaO6S2 Molecular Weight (g/mol): 326.293 MDL Number: MFCD00021519 InChI Key: ABPYYYVZWBYEAE-UHFFFAOYSA-N Synonym: 1-Naphthylamine-4,8-disulfonic Acid Monosodium Salt, 4-Amino-1,5-naphthalenedisulfonic Acid Monosodium Salt, Monosodium 4-Amino-1,5-naphthalenedisulfonate PubChem CID: 86734804 IUPAC Name: 4-aminonaphthalene-1,5-disulfonic acid;sodium SMILES: C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)N)S(=O)(=O)O.[Na]

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Specifications

PubChem CID	86734804
CAS	85328-80-9
Molecular Weight (g/mol)	326.293
MDL Number	MFCD00021519
SMILES	C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)N)S(=O)(=O)O.[Na]
Synonym	1-Naphthylamine-4,8-disulfonic Acid Monosodium Salt, 4-Amino-1,5-naphthalenedisulfonic Acid Monosodium Salt, Monosodium 4-Amino-1,5-naphthalenedisulfonate
IUPAC Name	4-aminonaphthalene-1,5-disulfonic acid;sodium
InChI Key	ABPYYYVZWBYEAE-UHFFFAOYSA-N
Molecular Formula	C10H9NNaO6S2

7,011

4-(Trifluoromethylthio)phenol 98.0+%, TCI America™

CAS: 461-84-7 Molecular Formula: C7H5F3OS Molecular Weight (g/mol): 194.171 MDL Number: MFCD00036035 InChI Key: YYCPTWHVKSATQK-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio phenol,4-trifluoromethyl thio phenol,4-trifluoromethyl sulfanyl phenol,4-trifluoromethylsulfanyl-phenol,4-trifluoromethylsulfanyl phenol,4-trifluoromethylthio hydroxybenzene,p-trifluoromethylthio phenol,4-trifluoromethyl sulphanyl phenol,phenol, 4-trifluoromethyl thio PubChem CID: 3815158 IUPAC Name: 4-(trifluoromethylsulfanyl)phenol SMILES: C1=CC(=CC=C1O)SC(F)(F)F

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Specifications

PubChem CID	3815158
CAS	461-84-7
Molecular Weight (g/mol)	194.171
MDL Number	MFCD00036035
SMILES	C1=CC(=CC=C1O)SC(F)(F)F
Synonym	4-trifluoromethylthio phenol,4-trifluoromethyl thio phenol,4-trifluoromethyl sulfanyl phenol,4-trifluoromethylsulfanyl-phenol,4-trifluoromethylsulfanyl phenol,4-trifluoromethylthio hydroxybenzene,p-trifluoromethylthio phenol,4-trifluoromethyl sulphanyl phenol,phenol, 4-trifluoromethyl thio
IUPAC Name	4-(trifluoromethylsulfanyl)phenol
InChI Key	YYCPTWHVKSATQK-UHFFFAOYSA-N
Molecular Formula	C7H5F3OS

7,012

2-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

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Specifications

PubChem CID	2734387
CAS	1423-27-4
Molecular Weight (g/mol)	189.928
MDL Number	MFCD00236059
Color	White-Yellow
Physical Form	Crystalline Powder
SMILES	B(C1=CC=CC=C1C(F)(F)F)(O)O
Synonym	2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol
TSCA	No
IUPAC Name	[2-(trifluoromethyl)phenyl]boronic acid
InChI Key	JNSBEPKGFVENFS-UHFFFAOYSA-N
Molecular Formula	C7H6BF3O2
Formula Weight	189.93

7,013

3-Formyl-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

Pricing & Availability
Specifications

Molecular Weight (g/mol)	179.966
Color	White-Yellow
Physical Form	Crystalline Powder
SMILES	B(C1=C(C(=CC=C1)C=O)OC)(O)O
InChI Key	DUROSIJIMLRFHR-UHFFFAOYSA-N
PubChem CID	16218167
CAS	480424-49-5
MDL Number	MFCD08689486
TSCA	No
Recommended Storage	Refrigerator
IUPAC Name	(3-formyl-2-methoxyphenyl)boronic acid
Molecular Formula	C8H9BO4
Formula Weight	179.97
Melting Point	128°C

7,014

(2,4-Dichlorobenzyl)triphenylphosphonium Chloride 98.0+%, TCI America™

CAS: 2492-23-1 Molecular Formula: C25H20Cl3P Molecular Weight (g/mol): 457.759 MDL Number: MFCD00031641 InChI Key: FWBSWSPGFNAXPP-UHFFFAOYSA-M Synonym: 2,4-dichlorobenzyl triphenylphosphonium chloride,2,4-dichlorobenzyltriphenylphosphonium chloride,phosphonium, 2,4-dichlorobenzyl triphenyl-, chloride,2,4-dichlorophenyl methyl triphenylphosphonium chloride,phosphonium, 2,4-dichlorophenyl methyl triphenyl-, chloride,triphenyl 2,4-dichlorobenzyl phosphonium chloride,2,4-dichlorophenyl methyl triphenylphosphanium chloride,phosphonium,4-dichlorobenzyl triphenyl-, chloride,phosphonium,4-dichlorophenyl methyl triphenyl-, chloride PubChem CID: 196999 IUPAC Name: (2,4-dichlorophenyl)methyl-triphenylphosphanium;chloride SMILES: C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

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Specifications

PubChem CID	196999
CAS	2492-23-1
Molecular Weight (g/mol)	457.759
MDL Number	MFCD00031641
SMILES	C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
Synonym	2,4-dichlorobenzyl triphenylphosphonium chloride,2,4-dichlorobenzyltriphenylphosphonium chloride,phosphonium, 2,4-dichlorobenzyl triphenyl-, chloride,2,4-dichlorophenyl methyl triphenylphosphonium chloride,phosphonium, 2,4-dichlorophenyl methyl triphenyl-, chloride,triphenyl 2,4-dichlorobenzyl phosphonium chloride,2,4-dichlorophenyl methyl triphenylphosphanium chloride,phosphonium,4-dichlorobenzyl triphenyl-, chloride,phosphonium,4-dichlorophenyl methyl triphenyl-, chloride
IUPAC Name	(2,4-dichlorophenyl)methyl-triphenylphosphanium;chloride
InChI Key	FWBSWSPGFNAXPP-UHFFFAOYSA-M
Molecular Formula	C25H20Cl3P

7,015

3-Iodo-1,2,4,5-tetramethylbenzene 98.0+%, TCI America™

CAS: 2100-25-6 Molecular Formula: C10H13I Molecular Weight (g/mol): 260.12 MDL Number: MFCD00013705 InChI Key: MCRSYYLHVQGFNR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetramethyliodobenzene,iododurene,3-iododurene,benzene, 3-iodo-1,2,4,5-tetramethyl,1-iodo-2,3,5,6-tetramethylbenzene,3-iodo-1,2,4,5-tetramethyl-benzene,acmc-209fgl,maybridge1_002808,3-iodo-1,4,5-tetramethylbenzene,iodo-2,3,5,6-tetramethylbenzene PubChem CID: 75011 IUPAC Name: 3-iodo-1,2,4,5-tetramethylbenzene SMILES: CC1=CC(C)=C(C)C(I)=C1C

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Specifications

PubChem CID	75011
CAS	2100-25-6
Molecular Weight (g/mol)	260.12
MDL Number	MFCD00013705
SMILES	CC1=CC(C)=C(C)C(I)=C1C
Synonym	2,3,5,6-tetramethyliodobenzene,iododurene,3-iododurene,benzene, 3-iodo-1,2,4,5-tetramethyl,1-iodo-2,3,5,6-tetramethylbenzene,3-iodo-1,2,4,5-tetramethyl-benzene,acmc-209fgl,maybridge1_002808,3-iodo-1,4,5-tetramethylbenzene,iodo-2,3,5,6-tetramethylbenzene
IUPAC Name	3-iodo-1,2,4,5-tetramethylbenzene
InChI Key	MCRSYYLHVQGFNR-UHFFFAOYSA-N
Molecular Formula	C10H13I

7,016

4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™

CAS: 32333-53-2 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00024882 InChI Key: SSULGNXFUGLULI-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori PubChem CID: 2780719 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl

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Specifications

PubChem CID	2780719
CAS	32333-53-2
Molecular Weight (g/mol)	279.054
MDL Number	MFCD00024882
SMILES	C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
Synonym	4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori
IUPAC Name	4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
InChI Key	SSULGNXFUGLULI-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2F3O2S

7,017

Ethyl 2,4-Difluorobenzoate 98.0+%, TCI America™

CAS: 108928-00-3 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.16 MDL Number: MFCD00153149 InChI Key: OPQFYGPAOVCNEQ-UHFFFAOYSA-N Synonym: 2,4-difluorobenzoic acid ethyl ester,2,4-difluoro-benzoic acid ethyl ester,pubchem3467,acmc-209w2m,ethyl-2,4-difluorobenzoate,ethyl 2,4-di-fluorobenzoate,rarechem al bi 0213,ethyl2,4-difluorobenzoate,2,4 ethyl-difluorobenzoate,2,4-difluorobenzoic acid, ethyl ester PubChem CID: 2737170 IUPAC Name: ethyl 2,4-difluorobenzoate SMILES: CCOC(=O)C1=CC=C(F)C=C1F

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Specifications

PubChem CID	2737170
CAS	108928-00-3
Molecular Weight (g/mol)	186.16
MDL Number	MFCD00153149
SMILES	CCOC(=O)C1=CC=C(F)C=C1F
Synonym	2,4-difluorobenzoic acid ethyl ester,2,4-difluoro-benzoic acid ethyl ester,pubchem3467,acmc-209w2m,ethyl-2,4-difluorobenzoate,ethyl 2,4-di-fluorobenzoate,rarechem al bi 0213,ethyl2,4-difluorobenzoate,2,4 ethyl-difluorobenzoate,2,4-difluorobenzoic acid, ethyl ester
IUPAC Name	ethyl 2,4-difluorobenzoate
InChI Key	OPQFYGPAOVCNEQ-UHFFFAOYSA-N
Molecular Formula	C9H8F2O2

7,018

4-Fluoro-2-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

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Specifications

PubChem CID	12109469
CAS	182344-16-7
MDL Number	MFCD08062379
Color	White
Physical Form	Crystalline Powder
TSCA	No
IUPAC Name	[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key	SWUPLEAGZOKLNX-UHFFFAOYSA-N
Molecular Formula	C7H5BF4O2
Formula Weight	207.92
Melting Point	186°C

7,019

4-Iodophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 5122-99-6 Molecular Formula: C6H6BIO2 Molecular Weight (g/mol): 247.83 MDL Number: MFCD01319014 InChI Key: PELJYVULHLKXFF-UHFFFAOYSA-N Synonym: 4-iodophenyl boronic acid,4-iodobenzeneboronic acid,p-iodophenylboronic acid,4-iodophenylboronicacid,p-iodobenzeneboronic acid,p-iodophenyl boronic acid,boronic acid, 4-iodophenyl,4-boronoiodobenzene,pubchem6160,pubchem11574 PubChem CID: 151254 IUPAC Name: (4-iodophenyl)boronic acid SMILES: OB(O)C1=CC=C(I)C=C1

Pricing & Availability
Specifications

PubChem CID	151254
CAS	5122-99-6
Molecular Weight (g/mol)	247.83
MDL Number	MFCD01319014
SMILES	OB(O)C1=CC=C(I)C=C1
Synonym	4-iodophenyl boronic acid,4-iodobenzeneboronic acid,p-iodophenylboronic acid,4-iodophenylboronicacid,p-iodobenzeneboronic acid,p-iodophenyl boronic acid,boronic acid, 4-iodophenyl,4-boronoiodobenzene,pubchem6160,pubchem11574
IUPAC Name	(4-iodophenyl)boronic acid
InChI Key	PELJYVULHLKXFF-UHFFFAOYSA-N
Molecular Formula	C6H6BIO2

7,020

4-Bromo-2-fluorobenzonitrile 98.0+%, TCI America™

CAS: 105942-08-3 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00143264 InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t PubChem CID: 736029 IUPAC Name: 4-bromo-2-fluorobenzonitrile SMILES: FC1=CC(Br)=CC=C1C#N

Pricing & Availability
Specifications

PubChem CID	736029
CAS	105942-08-3
Molecular Weight (g/mol)	200.01
MDL Number	MFCD00143264
SMILES	FC1=CC(Br)=CC=C1C#N
Synonym	2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t
IUPAC Name	4-bromo-2-fluorobenzonitrile
InChI Key	HGXWRDPQFZKOLZ-UHFFFAOYSA-N
Molecular Formula	C7H3BrFN

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