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.

451 – 465 of 55,094 results

451

Ethyl salicylate, 99+%, Thermo Scientific Chemicals

CAS: 118-61-6 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002215 InChI Key: GYCKQBWUSACYIF-UHFFFAOYSA-N Synonym: ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester PubChem CID: 8365 IUPAC Name: ethyl 2-hydroxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1O

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Specifications

PubChem CID	8365
CAS	118-61-6
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00002215
SMILES	CCOC(=O)C1=CC=CC=C1O
Synonym	ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester
IUPAC Name	ethyl 2-hydroxybenzoate
InChI Key	GYCKQBWUSACYIF-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

452

4,4'-Dimethoxytrityl Chloride, 98%

CAS: 40615-36-9 Molecular Formula: C21H19ClO2 Molecular Weight (g/mol): 338.83 MDL Number: MFCD00008409 InChI Key: JBWYRBLDOOOJEU-UHFFFAOYSA-N Synonym: 4,4'-dimethoxytrityl chloride,dmt-cl,4,4'-dimethoxytritylchloride,4,4'-chloro phenyl methylene bis methoxybenzene,4,4'-dimethoxytriphenylmethyl chloride,1,1'-chlorophenylmethylene bis 4-methoxybenzene,benzene, 1,1'-chlorophenylmethylene bis 4-methoxy,chloro-4,4'-dimethoxytriphenylmethane,1-chloro 4-methoxyphenyl phenylmethyl-4-methoxybenzene,4,4'-dimethoxytritylchloride dmt-cl PubChem CID: 96831 IUPAC Name: 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene SMILES: COC1=CC=C(C=C1)C(Cl)(C1=CC=CC=C1)C1=CC=C(OC)C=C1

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Specifications

PubChem CID	96831
CAS	40615-36-9
Molecular Weight (g/mol)	338.83
MDL Number	MFCD00008409
SMILES	COC1=CC=C(C=C1)C(Cl)(C1=CC=CC=C1)C1=CC=C(OC)C=C1
Synonym	4,4'-dimethoxytrityl chloride,dmt-cl,4,4'-dimethoxytritylchloride,4,4'-chloro phenyl methylene bis methoxybenzene,4,4'-dimethoxytriphenylmethyl chloride,1,1'-chlorophenylmethylene bis 4-methoxybenzene,benzene, 1,1'-chlorophenylmethylene bis 4-methoxy,chloro-4,4'-dimethoxytriphenylmethane,1-chloro 4-methoxyphenyl phenylmethyl-4-methoxybenzene,4,4'-dimethoxytritylchloride dmt-cl
IUPAC Name	1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
InChI Key	JBWYRBLDOOOJEU-UHFFFAOYSA-N
Molecular Formula	C21H19ClO2

453

Triphenylmethane, 99+%

CAS: 519-73-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00004763 InChI Key: AAAQKTZKLRYKHR-UHFFFAOYSA-N Synonym: triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane? PubChem CID: 10614 ChEBI: CHEBI:76212 IUPAC Name: benzhydrylbenzene SMILES: C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	10614
CAS	519-73-3
Molecular Weight (g/mol)	244.34
ChEBI	CHEBI:76212
MDL Number	MFCD00004763
SMILES	C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane?
IUPAC Name	benzhydrylbenzene
InChI Key	AAAQKTZKLRYKHR-UHFFFAOYSA-N
Molecular Formula	C19H16

454

Ethyl 4-fluorobenzoate, 99%

CAS: 451-46-7 Molecular Formula: C₉H₉FO₂ Molecular Weight (g/mol): 168.17 MDL Number: MFCD00000351 InChI Key: UMPRJGKLMUDRHL-UHFFFAOYSA-N Synonym: 4-fluorobenzoic acid ethyl ester,ethyl p-fluorobenzoate,benzoic acid, 4-fluoro-, ethyl ester,p-fluorobenzoic acid, ethyl ester,ethyl4-fluorobenzoate,4-fluoro-benzoic acid ethyl ester,benzoic acid, p-fluoro-, ethyl ester,ethyep-fluorobenzoate,pubchem3471,ethyl-4-fluorobenzoate PubChem CID: 67976 IUPAC Name: ethyl 4-fluorobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)F

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Specifications

PubChem CID	67976
CAS	451-46-7
Molecular Weight (g/mol)	168.17
MDL Number	MFCD00000351
SMILES	CCOC(=O)C1=CC=C(C=C1)F
Synonym	4-fluorobenzoic acid ethyl ester,ethyl p-fluorobenzoate,benzoic acid, 4-fluoro-, ethyl ester,p-fluorobenzoic acid, ethyl ester,ethyl4-fluorobenzoate,4-fluoro-benzoic acid ethyl ester,benzoic acid, p-fluoro-, ethyl ester,ethyep-fluorobenzoate,pubchem3471,ethyl-4-fluorobenzoate
IUPAC Name	ethyl 4-fluorobenzoate
InChI Key	UMPRJGKLMUDRHL-UHFFFAOYSA-N
Molecular Formula	C₉H₉FO₂

455

Pentafluorobenzoyl chloride, 98%

CAS: 2251-50-5 Molecular Formula: C7ClF5O Molecular Weight (g/mol): 230.52 MDL Number: MFCD00000657 InChI Key: MYHOHFDYWMPGJY-UHFFFAOYSA-N Synonym: pentafluorobenzoyl chloride,perfluorobenzoyl chloride,benzoyl chloride, pentafluoro,pentafluorobenzoylchloride,pubchem15522,acmc-1covi,intermediates-zcf02601,pentafluorobenzoic acid chloride,attercop-chm at133861,67924-15-6 unspecified acetate PubChem CID: 75256 ChEBI: CHEBI:39425 SMILES: FC1=C(F)C(F)=C(C(Cl)=O)C(F)=C1F

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Specifications

PubChem CID	75256
CAS	2251-50-5
Molecular Weight (g/mol)	230.52
ChEBI	CHEBI:39425
MDL Number	MFCD00000657
SMILES	FC1=C(F)C(F)=C(C(Cl)=O)C(F)=C1F
Synonym	pentafluorobenzoyl chloride,perfluorobenzoyl chloride,benzoyl chloride, pentafluoro,pentafluorobenzoylchloride,pubchem15522,acmc-1covi,intermediates-zcf02601,pentafluorobenzoic acid chloride,attercop-chm at133861,67924-15-6 unspecified acetate
InChI Key	MYHOHFDYWMPGJY-UHFFFAOYSA-N
Molecular Formula	C7ClF5O

456

alpha-2-Chloroisodurene, 98%

CAS: 1585-16-6 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000901 InChI Key: UNRGEIXQCZHICP-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene PubChem CID: 74108 IUPAC Name: 2-(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1

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Specifications

PubChem CID	74108
CAS	1585-16-6
Molecular Weight (g/mol)	168.66
MDL Number	MFCD00000901
SMILES	CC1=CC(C)=C(CCl)C(C)=C1
Synonym	2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene
IUPAC Name	2-(chloromethyl)-1,3,5-trimethylbenzene
InChI Key	UNRGEIXQCZHICP-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

457

Methyl vanillate, 99%

CAS: 3943-74-6 Molecular Formula: C₉H₁₀O₄ Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008438 InChI Key: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx PubChem CID: 19844 ChEBI: CHEBI:46477 IUPAC Name: methyl 4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)O

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Specifications

PubChem CID	19844
CAS	3943-74-6
Molecular Weight (g/mol)	182.18
ChEBI	CHEBI:46477
MDL Number	MFCD00008438
SMILES	COC1=C(C=CC(=C1)C(=O)OC)O
Synonym	methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx
IUPAC Name	methyl 4-hydroxy-3-methoxybenzoate
InChI Key	BVWTXUYLKBHMOX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₄

458

2,4,6-Trimethoxybenzaldehyde, 98%

CAS: 830-79-5 Molecular Formula: C₁₀H₁₂O₄ Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003313 InChI Key: CRBZVDLXAIFERF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene PubChem CID: 70019 IUPAC Name: 2,4,6-trimethoxybenzaldehyde SMILES: COC1=CC(=C(C(=C1)OC)C=O)OC

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Specifications

PubChem CID	70019
CAS	830-79-5
Molecular Weight (g/mol)	196.2
MDL Number	MFCD00003313
SMILES	COC1=CC(=C(C(=C1)OC)C=O)OC
Synonym	benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene
IUPAC Name	2,4,6-trimethoxybenzaldehyde
InChI Key	CRBZVDLXAIFERF-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₄

459

4-(4-Methoxyphenyl)butyric acid, 98%

CAS: 4521-28-2 Molecular Formula: C₁₁H₁₄O₃ Molecular Weight (g/mol): 194.23 MDL Number: MFCD00004404 InChI Key: LZHMNCJMXQKSBY-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid PubChem CID: 78280 IUPAC Name: 4-(4-methoxyphenyl)butanoic acid SMILES: COC1=CC=C(C=C1)CCCC(=O)O

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Specifications

PubChem CID	78280
CAS	4521-28-2
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00004404
SMILES	COC1=CC=C(C=C1)CCCC(=O)O
Synonym	4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid
IUPAC Name	4-(4-methoxyphenyl)butanoic acid
InChI Key	LZHMNCJMXQKSBY-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₄O₃

460

3-Methoxy-2-nitrobenzaldehyde, 97%

CAS: 53055-05-3 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007135 InChI Key: GDTUACILWWLIJF-UHFFFAOYSA-N PubChem CID: 98867 IUPAC Name: 3-methoxy-2-nitrobenzaldehyde SMILES: COC1=CC=CC(C=O)=C1[N+]([O-])=O

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Specifications

PubChem CID	98867
CAS	53055-05-3
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007135
SMILES	COC1=CC=CC(C=O)=C1[N+]([O-])=O
IUPAC Name	3-methoxy-2-nitrobenzaldehyde
InChI Key	GDTUACILWWLIJF-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

461

(4-Methoxyphenyl)acetonitrile, 97%

CAS: 104-47-2 MDL Number: MFCD00001919 InChI Key: PACGLQCRGWFBJH-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile PubChem CID: 66031 IUPAC Name: 2-(4-methoxyphenyl)acetonitrile SMILES: COC1=CC=C(C=C1)CC#N

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Specifications

PubChem CID	66031
CAS	104-47-2
MDL Number	MFCD00001919
SMILES	COC1=CC=C(C=C1)CC#N
Synonym	4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile
IUPAC Name	2-(4-methoxyphenyl)acetonitrile
InChI Key	PACGLQCRGWFBJH-UHFFFAOYSA-N

462

4-Bromophenethyl alcohol, 99%

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463

4-chlorosalicylic acid, 98%

CAS: 5106-98-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00002449 InChI Key: LWXFCZXRFBUOOR-UHFFFAOYSA-N Synonym: 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid PubChem CID: 78782 IUPAC Name: 4-chloro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1O

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Specifications

PubChem CID	78782
CAS	5106-98-9
Molecular Weight (g/mol)	172.56
MDL Number	MFCD00002449
SMILES	OC(=O)C1=CC=C(Cl)C=C1O
Synonym	4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid
IUPAC Name	4-chloro-2-hydroxybenzoic acid
InChI Key	LWXFCZXRFBUOOR-UHFFFAOYSA-N
Molecular Formula	C7H5ClO3

464

2-Chlorophenol, 98+%

CAS: 95-57-8 Molecular Formula: C₆H₅ClO Molecular Weight (g/mol): 128.56 MDL Number: MFCD00002159 InChI Key: ISPYQTSUDJAMAB-UHFFFAOYSA-N Synonym: o-chlorophenol,phenol, 2-chloro,2-hydroxychlorobenzene,o-chlorphenol,o-chlorophenic acid,phenol, o-chloro,2-chloro-1-hydroxybenzene,chlorophenol,septi-kleen,2-chloro-phenol PubChem CID: 7245 ChEBI: CHEBI:47083 IUPAC Name: 2-chlorophenol SMILES: C1=CC=C(C(=C1)O)Cl

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Specifications

PubChem CID	7245
CAS	95-57-8
Molecular Weight (g/mol)	128.56
ChEBI	CHEBI:47083
MDL Number	MFCD00002159
SMILES	C1=CC=C(C(=C1)O)Cl
Synonym	o-chlorophenol,phenol, 2-chloro,2-hydroxychlorobenzene,o-chlorphenol,o-chlorophenic acid,phenol, o-chloro,2-chloro-1-hydroxybenzene,chlorophenol,septi-kleen,2-chloro-phenol
IUPAC Name	2-chlorophenol
InChI Key	ISPYQTSUDJAMAB-UHFFFAOYSA-N
Molecular Formula	C₆H₅ClO

465

3-Bromobenzyl bromide, 95%

CAS: 823-78-9 Molecular Formula: C₇H₆Br₂ Molecular Weight (g/mol): 249.93 MDL Number: MFCD00000176 InChI Key: ZPCJPJQUVRIILS-UHFFFAOYSA-N Synonym: 3-bromobenzyl bromide,1-bromo-3-bromomethyl benzene,m-bromobenzyl bromide,3-bromobenzylbromide,benzene, 1-bromo-3-bromomethyl,alpha,3-dibromotoluene,alpha,m-dibromotoluene,3-bromo benzyl bromide,1-bromo-3-bromomethyl-benzene,alpha-3-dibromotoluene PubChem CID: 69979 IUPAC Name: 1-bromo-3-(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CBr

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Specifications

PubChem CID	69979
CAS	823-78-9
Molecular Weight (g/mol)	249.93
MDL Number	MFCD00000176
SMILES	C1=CC(=CC(=C1)Br)CBr
Synonym	3-bromobenzyl bromide,1-bromo-3-bromomethyl benzene,m-bromobenzyl bromide,3-bromobenzylbromide,benzene, 1-bromo-3-bromomethyl,alpha,3-dibromotoluene,alpha,m-dibromotoluene,3-bromo benzyl bromide,1-bromo-3-bromomethyl-benzene,alpha-3-dibromotoluene
IUPAC Name	1-bromo-3-(bromomethyl)benzene
InChI Key	ZPCJPJQUVRIILS-UHFFFAOYSA-N
Molecular Formula	C₇H₆Br₂

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