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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511 – 525 of 78,418 results

511

o-Toluic acid, 98+%

CAS: 118-90-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002477 InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N Synonym: o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate PubChem CID: 8373 ChEBI: CHEBI:36632 IUPAC Name: 2-methylbenzoic acid SMILES: CC1=CC=CC=C1C(=O)O

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PubChem CID	8373
CAS	118-90-1
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:36632
MDL Number	MFCD00002477
SMILES	CC1=CC=CC=C1C(=O)O
Synonym	o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate
IUPAC Name	2-methylbenzoic acid
InChI Key	ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Molecular Formula	C8H8O2

512

Ethyl 4-hydroxybenzoate, 99%

CAS: 120-47-8 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

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PubChem CID	8434
CAS	120-47-8
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:86616
MDL Number	MFCD00002353
SMILES	CCOC(=O)C1=CC=C(C=C1)O
Synonym	ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
IUPAC Name	ethyl 4-hydroxybenzoate
InChI Key	NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

513

2-Chlorophenylacetonitrile, 98+%

CAS: 2856-63-5 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00001898 InChI Key: MRDUURPIPLIGQX-UHFFFAOYSA-N Synonym: 2-chlorobenzyl cyanide,2-chlorophenylacetonitrile,2-2-chlorophenyl acetonitrile,o-chlorobenzyl cyanide,benzeneacetonitrile, 2-chloro,2-chlorobenzeneacetonitrile,2-chlorobenzylcyanide,2-chlorophenyl acetonitrile,o-chlorophenyl acetonitrile,acetonitrile, o-chlorophenyl PubChem CID: 76112 IUPAC Name: 2-(2-chlorophenyl)acetonitrile SMILES: C1=CC=C(C(=C1)CC#N)Cl

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Specifications

PubChem CID	76112
CAS	2856-63-5
Molecular Weight (g/mol)	151.593
MDL Number	MFCD00001898
SMILES	C1=CC=C(C(=C1)CC#N)Cl
Synonym	2-chlorobenzyl cyanide,2-chlorophenylacetonitrile,2-2-chlorophenyl acetonitrile,o-chlorobenzyl cyanide,benzeneacetonitrile, 2-chloro,2-chlorobenzeneacetonitrile,2-chlorobenzylcyanide,2-chlorophenyl acetonitrile,o-chlorophenyl acetonitrile,acetonitrile, o-chlorophenyl
IUPAC Name	2-(2-chlorophenyl)acetonitrile
InChI Key	MRDUURPIPLIGQX-UHFFFAOYSA-N
Molecular Formula	C8H6ClN

514

4-Chlorobenzyl chloride, 99+%

CAS: 104-83-6 Molecular Formula: C₇H₆Cl₂ Molecular Weight (g/mol): 161.03 MDL Number: MFCD00000914 InChI Key: JQZAEUFPPSRDOP-UHFFFAOYSA-N Synonym: 4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro PubChem CID: 7723 IUPAC Name: 1-chloro-4-(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)Cl

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Specifications

PubChem CID	7723
CAS	104-83-6
Molecular Weight (g/mol)	161.03
MDL Number	MFCD00000914
SMILES	C1=CC(=CC=C1CCl)Cl
Synonym	4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro
IUPAC Name	1-chloro-4-(chloromethyl)benzene
InChI Key	JQZAEUFPPSRDOP-UHFFFAOYSA-N
Molecular Formula	C₇H₆Cl₂

515

4-Nitrobenzaldehyde, 99%

CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1

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PubChem CID	541
CAS	555-16-8
Molecular Weight (g/mol)	151.12
ChEBI	CHEBI:66926
MDL Number	MFCD00007346
SMILES	[O-][N+](=O)C1=CC=C(C=O)C=C1
Synonym	p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675
IUPAC Name	4-nitrobenzaldehyde
InChI Key	BXRFQSNOROATLV-UHFFFAOYSA-N
Molecular Formula	C7H5NO3

516

4-Chloro-3,5-dinitrobenzotrifluoride 98.0+%, TCI America™

CAS: 393-75-9 Molecular Formula: C7H2ClF3N2O4 Molecular Weight (g/mol): 270.548 MDL Number: MFCD00007068 InChI Key: HFHAVERNVFNSHL-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,3-dinitro-5-trifluoromethyl benzene,3,5-dinitro-4-chlorobenzotrifluoride,benzene, 2-chloro-1,3-dinitro-5-trifluoromethyl,1-chloro-2,6-dinitro-4-trifluoromethyl benzene,1,3-dinitro-2-chloro-5-trifluoromethylbenzene,cdnt,chloralin,2,6-dinitro-4-trifluoromethylchlorobenzene,trifluoromethyl-3,5-dinitro-4-chlorobenzene PubChem CID: 9809 IUPAC Name: 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F

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PubChem CID	9809
CAS	393-75-9
Molecular Weight (g/mol)	270.548
MDL Number	MFCD00007068
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F
Synonym	4-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,3-dinitro-5-trifluoromethyl benzene,3,5-dinitro-4-chlorobenzotrifluoride,benzene, 2-chloro-1,3-dinitro-5-trifluoromethyl,1-chloro-2,6-dinitro-4-trifluoromethyl benzene,1,3-dinitro-2-chloro-5-trifluoromethylbenzene,cdnt,chloralin,2,6-dinitro-4-trifluoromethylchlorobenzene,trifluoromethyl-3,5-dinitro-4-chlorobenzene
IUPAC Name	2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
InChI Key	HFHAVERNVFNSHL-UHFFFAOYSA-N
Molecular Formula	C7H2ClF3N2O4

517

Benzophenone 99.0+%, TCI America™

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.222 MDL Number: MFCD00003076 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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Specifications

PubChem CID	3102
CAS	119-61-9
Molecular Weight (g/mol)	182.222
ChEBI	CHEBI:41308
MDL Number	MFCD00003076
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name	diphenylmethanone
InChI Key	RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula	C13H10O

518

3-Bromoanisole, 98+%

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

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PubChem CID	16971
CAS	2398-37-0
Molecular Weight (g/mol)	187.04
MDL Number	MFCD00000081
SMILES	COC1=CC=CC(Br)=C1
Synonym	3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name	1-bromo-3-methoxybenzene
InChI Key	PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

519

2,2'-Dithiodibenzoic Acid 96.0+%, TCI America™

CAS: 119-80-2 Molecular Formula: C14H10O4S2 Molecular Weight (g/mol): 306.35 MDL Number: MFCD00002465 InChI Key: LBEMXJWGHIEXRA-UHFFFAOYSA-N Synonym: 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid PubChem CID: 8409 IUPAC Name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

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PubChem CID	8409
CAS	119-80-2
Molecular Weight (g/mol)	306.35
MDL Number	MFCD00002465
SMILES	C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
Synonym	2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid
IUPAC Name	2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChI Key	LBEMXJWGHIEXRA-UHFFFAOYSA-N
Molecular Formula	C14H10O4S2

520

Thioanisole, 99%

CAS: 100-68-5 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Synonym: thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene PubChem CID: 7520 IUPAC Name: methylsulfanylbenzene SMILES: CSC1=CC=CC=C1

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PubChem CID	7520
CAS	100-68-5
Molecular Weight (g/mol)	124.201
MDL Number	MFCD00008559
SMILES	CSC1=CC=CC=C1
Synonym	thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene
IUPAC Name	methylsulfanylbenzene
InChI Key	HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Formula	C7H8S

521

Ethyl 2-chlorobenzoate, 98%

CAS: 7335-25-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00016338 InChI Key: RETLCWPMLJPOTP-UHFFFAOYSA-N Synonym: 2-chlorobenzoic acid ethyl ester,ethyl o-chlorobenzoate,benzoic acid, 2-chloro-, ethyl ester,ethyl-2-chlorobenzoate,ethyl2-chlorobenzoate,pubchem3703,acmc-1bfxj,ethyl 2-chloranylbenzoate,chlorobenzoic acid ethyl ester,ksc498a5r PubChem CID: 81783 IUPAC Name: ethyl 2-chlorobenzoate SMILES: CCOC(=O)C1=CC=CC=C1Cl

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Specifications

PubChem CID	81783
CAS	7335-25-3
Molecular Weight (g/mol)	184.62
MDL Number	MFCD00016338
SMILES	CCOC(=O)C1=CC=CC=C1Cl
Synonym	2-chlorobenzoic acid ethyl ester,ethyl o-chlorobenzoate,benzoic acid, 2-chloro-, ethyl ester,ethyl-2-chlorobenzoate,ethyl2-chlorobenzoate,pubchem3703,acmc-1bfxj,ethyl 2-chloranylbenzoate,chlorobenzoic acid ethyl ester,ksc498a5r
IUPAC Name	ethyl 2-chlorobenzoate
InChI Key	RETLCWPMLJPOTP-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

522

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

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Specifications

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

523

Thermo Scientific Chemicals Crystal violet, ACS reagent

CAS: 548-62-9 | C₂₅H₃₀ClN₃ | 407.99 g/mol

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Specifications

Molecular Weight (g/mol)	407.99
ChEBI	CHEBI:41688
Grade	ACS Reagent
SMILES	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
Merck Index	15,443
InChI Key	ZXJXZNDDNMQXFV-UHFFFAOYSA-M
PubChem CID	11057
CAS	90-94-8
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Immediately call a POISON CENTER
Health Hazard 2	GHS H Statement Very toxic to aquatic life with long lasting effects. Harmful if swallowed. Causes serious eye damage. Suspected of causing cancer.
Solubility Information	Solubility in water: 16g/L (25°C). Other solubilities: soluble in chloroform,1g/10 mL alcohol,1g/15 mL glycerin,practically insoluble in ether
Health Hazard 1	GHS Signal Word: Danger
Synonym	crystal violet,gentian violet,basic violet 3,methylrosaniline chloride,aniline violet,hexamethyl violet,gentiaverm,hexamethylpararosaniline chloride,pyoktanin,adergon
IUPAC Name	[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride
Molecular Formula	C₂₅H₃₀ClN₃
EINECS Number	208-953-6
Formula Weight	407.99
Melting Point	173°C

524

Ethyl 4-ethoxybenzoate, 98%

CAS: 23676-09-7 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00009116 InChI Key: HRAQMGWTPNOILP-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethoxy-, ethyl ester,4-ethoxybenzoic acid ethyl ester,4-ethoxy ethylbenzoate,benzoic acid, p-ethoxy-, ethyl ester,4-ethoxyethylbenzoate,peeb,ethyl p-ethoxybenzoate,ethyl-4-ethoxybenzoate,p-ethoxy ethyl benzoate,ethyl-p-ethoxy benzoate PubChem CID: 90232 IUPAC Name: ethyl 4-ethoxybenzoate SMILES: CCOC1=CC=C(C=C1)C(=O)OCC

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Specifications

PubChem CID	90232
CAS	23676-09-7
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00009116
SMILES	CCOC1=CC=C(C=C1)C(=O)OCC
Synonym	benzoic acid, 4-ethoxy-, ethyl ester,4-ethoxybenzoic acid ethyl ester,4-ethoxy ethylbenzoate,benzoic acid, p-ethoxy-, ethyl ester,4-ethoxyethylbenzoate,peeb,ethyl p-ethoxybenzoate,ethyl-4-ethoxybenzoate,p-ethoxy ethyl benzoate,ethyl-p-ethoxy benzoate
IUPAC Name	ethyl 4-ethoxybenzoate
InChI Key	HRAQMGWTPNOILP-UHFFFAOYSA-N
Molecular Formula	C11H14O3

525

Benzyl bromide, 98%

CAS: 100-39-0 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

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Specifications

PubChem CID	7498
CAS	100-39-0
ChEBI	CHEBI:59858
MDL Number	MFCD00000172
SMILES	C1=CC=C(C=C1)CBr
Synonym	benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite
IUPAC Name	bromomethylbenzene
InChI Key	AGEZXYOZHKGVCM-UHFFFAOYSA-N

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