Benzenediols

Aromatic organic compounds that consist of a benzene ring with two hydroxyl functional group substitutions.

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Tyrphostin A23, 99%, Thermo Scientific Chemicals

CAS: 118409-57-7 Molecular Formula: C10H6N2O2 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00133899 InChI Key: VTJXFTPMFYAJJU-UHFFFAOYSA-N Synonym: tyrphostin 23,tyrphostin a23,3,4-dihydroxybenzylidene malononitrile,tyrphostin ag18,tyrphostin rg50810,unii-rv0gcd31oj,2-3,4-dihydroxyphenyl methylidene propanedinitrile,2-3,4-dihydroxybenzylidene malononitrile,alpha-cyano-3,4-dihydroxy cinnamonitrile,propanedinitrile,2-3,4-dihydroxyphenyl methylene PubChem CID: 2052 IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile SMILES: C1=CC(=C(C=C1C=C(C#N)C#N)O)O

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PubChem CID	2052
CAS	118409-57-7
Molecular Weight (g/mol)	186.17
MDL Number	MFCD00133899
SMILES	C1=CC(=C(C=C1C=C(C#N)C#N)O)O
Synonym	tyrphostin 23,tyrphostin a23,3,4-dihydroxybenzylidene malononitrile,tyrphostin ag18,tyrphostin rg50810,unii-rv0gcd31oj,2-3,4-dihydroxyphenyl methylidene propanedinitrile,2-3,4-dihydroxybenzylidene malononitrile,alpha-cyano-3,4-dihydroxy cinnamonitrile,propanedinitrile,2-3,4-dihydroxyphenyl methylene
IUPAC Name	2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile
InChI Key	VTJXFTPMFYAJJU-UHFFFAOYSA-N
Molecular Formula	C10H6N2O2

3-Methylcatechol, 97%

CAS: 488-17-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00016435 InChI Key: PGSWEKYNAOWQDF-UHFFFAOYSA-N Synonym: 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol PubChem CID: 340 ChEBI: CHEBI:18404 IUPAC Name: 3-methylbenzene-1,2-diol SMILES: CC1=C(C(=CC=C1)O)O

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Specifications

PubChem CID	340
CAS	488-17-5
Molecular Weight (g/mol)	124.139
ChEBI	CHEBI:18404
MDL Number	MFCD00016435
SMILES	CC1=C(C(=CC=C1)O)O
Synonym	3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol
IUPAC Name	3-methylbenzene-1,2-diol
InChI Key	PGSWEKYNAOWQDF-UHFFFAOYSA-N
Molecular Formula	C7H8O2

4-n-Hexylresorcinol, 99%

CAS: 136-77-6 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00002284 InChI Key: WFJIVOKAWHGMBH-UHFFFAOYSA-N Synonym: hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol PubChem CID: 3610 IUPAC Name: 4-hexylbenzene-1,3-diol SMILES: CCCCCCC1=CC=C(O)C=C1O

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Specifications

PubChem CID	3610
CAS	136-77-6
Molecular Weight (g/mol)	194.27
MDL Number	MFCD00002284
SMILES	CCCCCCC1=CC=C(O)C=C1O
Synonym	hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol
IUPAC Name	4-hexylbenzene-1,3-diol
InChI Key	WFJIVOKAWHGMBH-UHFFFAOYSA-N
Molecular Formula	C12H18O2

2-Nitroresorcinol, 98%

CAS: 601-89-8 Molecular Formula: C6H5NO4 Molecular Weight (g/mol): 155.11 MDL Number: MFCD00007124 InChI Key: ZLCPKMIJYMHZMJ-UHFFFAOYSA-N Synonym: 2-nitroresorcinol,2-nitrobenzene-1,3-diol,1,3-benzenediol, 2-nitro,resorcinol, 2-nitro,2-nitro-1,3-benzenediol,1,3-dihydroxy-2-nitrobenzene,1,3-benzenediol, nitro,2,6-dihydroxynitrobenzene,nitroresorcinol,acmc-209mid PubChem CID: 11760 IUPAC Name: 2-nitrobenzene-1,3-diol SMILES: OC1=CC=CC(O)=C1[N+]([O-])=O

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Specifications

PubChem CID	11760
CAS	601-89-8
Molecular Weight (g/mol)	155.11
MDL Number	MFCD00007124
SMILES	OC1=CC=CC(O)=C1[N+]([O-])=O
Synonym	2-nitroresorcinol,2-nitrobenzene-1,3-diol,1,3-benzenediol, 2-nitro,resorcinol, 2-nitro,2-nitro-1,3-benzenediol,1,3-dihydroxy-2-nitrobenzene,1,3-benzenediol, nitro,2,6-dihydroxynitrobenzene,nitroresorcinol,acmc-209mid
IUPAC Name	2-nitrobenzene-1,3-diol
InChI Key	ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
Molecular Formula	C6H5NO4

3,4-Dihydroxycinnamic acid, 99+%, predominantly trans isomer

CAS: 331-39-5 Molecular Formula: C₉H₈O₄ Molecular Weight (g/mol): 180.16 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

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Specifications

PubChem CID	689043
CAS	331-39-5
Molecular Weight (g/mol)	180.16
ChEBI	CHEBI:16433
SMILES	C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym	caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name	(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key	QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula	C₉H₈O₄

4,6-Diaminoresorcinol dihydrochloride, 98%

CAS: 16523-31-2 Molecular Formula: C₆H₈N₂O₂·₂HCl Molecular Weight (g/mol): 213.06 MDL Number: MFCD00143239 InChI Key: KUMOYHHELWKOCB-UHFFFAOYSA-N Synonym: 4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d PubChem CID: 2733648 IUPAC Name: 4,6-diaminobenzene-1,3-diol;dihydrochloride SMILES: C1=C(C(=CC(=C1N)O)O)N.Cl.Cl

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Specifications

PubChem CID	2733648
CAS	16523-31-2
Molecular Weight (g/mol)	213.06
MDL Number	MFCD00143239
SMILES	C1=C(C(=CC(=C1N)O)O)N.Cl.Cl
Synonym	4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d
IUPAC Name	4,6-diaminobenzene-1,3-diol;dihydrochloride
InChI Key	KUMOYHHELWKOCB-UHFFFAOYSA-N
Molecular Formula	C₆H₈N₂O₂·₂HCl

3,5-Dihydroxy-4-methylbenzoic acid, 97%

CAS: 28026-96-2 Molecular Formula: C8H7O4 Molecular Weight (g/mol): 167.14 MDL Number: MFCD00002514 InChI Key: KMRRXSZDSGYLCD-UHFFFAOYSA-M PubChem CID: 2748045 IUPAC Name: 3,5-dihydroxy-4-methylbenzoic acid SMILES: CC1=C(O)C=C(C=C1O)C([O-])=O

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Specifications

PubChem CID	2748045
CAS	28026-96-2
Molecular Weight (g/mol)	167.14
MDL Number	MFCD00002514
SMILES	CC1=C(O)C=C(C=C1O)C([O-])=O
IUPAC Name	3,5-dihydroxy-4-methylbenzoic acid
InChI Key	KMRRXSZDSGYLCD-UHFFFAOYSA-M
Molecular Formula	C8H7O4

2-Methylhydroquinone, 99%

CAS: 95-71-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002345 InChI Key: CNHDIAIOKMXOLK-UHFFFAOYSA-N Synonym: methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol PubChem CID: 7253 IUPAC Name: 2-methylbenzene-1,4-diol SMILES: CC1=CC(O)=CC=C1O

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Specifications

PubChem CID	7253
CAS	95-71-6
Molecular Weight (g/mol)	124.14
MDL Number	MFCD00002345
SMILES	CC1=CC(O)=CC=C1O
Synonym	methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol
IUPAC Name	2-methylbenzene-1,4-diol
InChI Key	CNHDIAIOKMXOLK-UHFFFAOYSA-N
Molecular Formula	C7H8O2

4-Ethylcatechol, 98%

CAS: 1124-39-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00015847 InChI Key: HFLGBNBLMBSXEM-UHFFFAOYSA-N Synonym: 4-ethylcatechol,4-ethylpyrocatechol,4-ethyl-1,2-benzenediol,unii-574jv8byr2,1,2-benzenediol, 4-ethyl,benzenediol, 4-ethyl,3,4-dihydroxyethylbenzene,ethylcatechol,4-ethyl catechol,4-ethylc atechol PubChem CID: 70761 IUPAC Name: 4-ethylbenzene-1,2-diol SMILES: CCC1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	70761
CAS	1124-39-6
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00015847
SMILES	CCC1=CC=C(O)C(O)=C1
Synonym	4-ethylcatechol,4-ethylpyrocatechol,4-ethyl-1,2-benzenediol,unii-574jv8byr2,1,2-benzenediol, 4-ethyl,benzenediol, 4-ethyl,3,4-dihydroxyethylbenzene,ethylcatechol,4-ethyl catechol,4-ethylc atechol
IUPAC Name	4-ethylbenzene-1,2-diol
InChI Key	HFLGBNBLMBSXEM-UHFFFAOYSA-N
Molecular Formula	C8H10O2

4-Nitrocatechol, 97%

CAS: 3316-09-4 Molecular Formula: C₆H₅NO₄ Molecular Weight (g/mol): 155.11 MDL Number: MFCD00007242 InChI Key: XJNPNXSISMKQEX-UHFFFAOYSA-N Synonym: 4-nitrocatechol,4-nitropyrocatechol,1,2-dihydroxy-4-nitrobenzene,4-nitro-1,2-benzenediol,3,4-dihydroxy-1-nitrobenzene,unii-sw60ng75en,sw60ng75en,1,2-benzenediol, 4-nitro,nitrocatechol mix of isomers,4nc PubChem CID: 3505109 ChEBI: CHEBI:16318 IUPAC Name: 4-nitrobenzene-1,2-diol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)O

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Specifications

PubChem CID	3505109
CAS	3316-09-4
Molecular Weight (g/mol)	155.11
ChEBI	CHEBI:16318
MDL Number	MFCD00007242
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])O)O
Synonym	4-nitrocatechol,4-nitropyrocatechol,1,2-dihydroxy-4-nitrobenzene,4-nitro-1,2-benzenediol,3,4-dihydroxy-1-nitrobenzene,unii-sw60ng75en,sw60ng75en,1,2-benzenediol, 4-nitro,nitrocatechol mix of isomers,4nc
IUPAC Name	4-nitrobenzene-1,2-diol
InChI Key	XJNPNXSISMKQEX-UHFFFAOYSA-N
Molecular Formula	C₆H₅NO₄

4-Nitrocatechol, 98+%

CAS: 3316-09-4 MDL Number: MFCD00007242 ChEBI: CHEBI:16318

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Specifications

CAS	3316-09-4
ChEBI	CHEBI:16318
MDL Number	MFCD00007242

3,4-Dihydroxybenzylamine hydrobromide, 98%

CAS: 16290-26-9 Molecular Formula: C7H10BrNO2 Molecular Weight (g/mol): 220.07 MDL Number: MFCD00012859 InChI Key: BVFZTXFCZAXSHN-UHFFFAOYSA-N Synonym: 3,4-dihydroxybenzylamine hydrobromide,4-aminomethyl benzene-1,2-diol hydrobromide,dhba hydrobromide,acmc-1afa4,1, 4-aminomethyl-, hydrobromide,4-aminomethyl catechol hydrobromide,3,4 dihydroxybenzylamine hydrobromide,3,4-dihy-droxybenzylamine hydrobromide,3,4-dihydroxy benzylamine hydrobromide,4-aminomethyl benzene-1,2-diol, bromide PubChem CID: 13343562 IUPAC Name: 4-(aminomethyl)benzene-1,2-diol;hydrobromide SMILES: [H+].[Br-].NCC1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	13343562
CAS	16290-26-9
Molecular Weight (g/mol)	220.07
MDL Number	MFCD00012859
SMILES	[H+].[Br-].NCC1=CC=C(O)C(O)=C1
Synonym	3,4-dihydroxybenzylamine hydrobromide,4-aminomethyl benzene-1,2-diol hydrobromide,dhba hydrobromide,acmc-1afa4,1, 4-aminomethyl-, hydrobromide,4-aminomethyl catechol hydrobromide,3,4 dihydroxybenzylamine hydrobromide,3,4-dihy-droxybenzylamine hydrobromide,3,4-dihydroxy benzylamine hydrobromide,4-aminomethyl benzene-1,2-diol, bromide
IUPAC Name	4-(aminomethyl)benzene-1,2-diol;hydrobromide
InChI Key	BVFZTXFCZAXSHN-UHFFFAOYSA-N
Molecular Formula	C7H10BrNO2

Thermo Scientific™ Piceatannol

CAS: 10083-24-6 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.25 InChI Key: CDRPUGZCRXZLFL-OWOJBTEDSA-N IUPAC Name: 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1

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Specifications

CAS	10083-24-6
Molecular Weight (g/mol)	244.25
SMILES	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1
IUPAC Name	5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	CDRPUGZCRXZLFL-OWOJBTEDSA-N
Molecular Formula	C14H12O4

PubChem CID	3610
CAS	136-77-6
Molecular Weight (g/mol)	194.27
MDL Number	MFCD00002284
SMILES	CCCCCCC1=CC=C(O)C=C1O
Synonym	hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol
IUPAC Name	4-hexylbenzene-1,3-diol
InChI Key	WFJIVOKAWHGMBH-UHFFFAOYSA-N
Molecular Formula	C12H18O2

3-Fluoro-1,2-dihydroxybenzene, 98+%, Thermo Scientific Chemicals

CAS: 363-52-0 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.10 MDL Number: MFCD00042582 InChI Key: DXOSJQLIRGXWCF-UHFFFAOYSA-N Synonym: 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 PubChem CID: 67764 ChEBI: CHEBI:39876 IUPAC Name: 3-fluorobenzene-1,2-diol SMILES: OC1=CC=CC(F)=C1O

Pricing and Availability
Specifications

PubChem CID	67764
CAS	363-52-0
Molecular Weight (g/mol)	128.10
ChEBI	CHEBI:39876
MDL Number	MFCD00042582
SMILES	OC1=CC=CC(F)=C1O
Synonym	3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142
IUPAC Name	3-fluorobenzene-1,2-diol
InChI Key	DXOSJQLIRGXWCF-UHFFFAOYSA-N
Molecular Formula	C6H5FO2

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