Benzenediols

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

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Sigma Aldrich (S)-1-m-Tolylethanamine

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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5-Aminobenzene-1,3-diol hydrochloride, Technical Grade, Thermo Scientific™

CAS: 6318-56-5 Molecular Formula: C6H8ClNO2 Molecular Weight (g/mol): 161.59 MDL Number: MFCD00662897 InChI Key: VNZZCDQPCQIUGG-UHFFFAOYSA-N Synonym: 5-aminobenzene-1,3-diol hydrochloride,1,3-benzenediol, 5-amino-, hydrochloride,5-aminoresorcinol, hydrochloride,pubchem19962,5-aminobenzene-1,3-diol hcl,5-aminobenzene-1,3-diol hydrochloridyl PubChem CID: 459248 SMILES: Cl.NC1=CC(O)=CC(O)=C1

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Specifications

PubChem CID	459248
CAS	6318-56-5
Molecular Weight (g/mol)	161.59
MDL Number	MFCD00662897
SMILES	Cl.NC1=CC(O)=CC(O)=C1
Synonym	5-aminobenzene-1,3-diol hydrochloride,1,3-benzenediol, 5-amino-, hydrochloride,5-aminoresorcinol, hydrochloride,pubchem19962,5-aminobenzene-1,3-diol hcl,5-aminobenzene-1,3-diol hydrochloridyl
InChI Key	VNZZCDQPCQIUGG-UHFFFAOYSA-N
Molecular Formula	C6H8ClNO2

Nordihydroguaiaretic acid, 97%

CAS: 500-38-9 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00002206 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

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Specifications

PubChem CID	4534
CAS	500-38-9
Molecular Weight (g/mol)	302.37
ChEBI	CHEBI:7625
MDL Number	MFCD00002206
SMILES	CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Synonym	nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane
IUPAC Name	4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChI Key	HCZKYJDFEPMADG-UHFFFAOYSA-N
Molecular Formula	C18H22O4

Caffeic Acid, (Yellowish-brown crystals),MP Biomedicals

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 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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PubChem CID	689043
CAS	331-39-5
Molecular Weight (g/mol)	180.159
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

L-Noradrenaline, 98%

CAS: 51-41-2 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00025592 InChI Key: SFLSHLFXELFNJZ-QMMMGPOBSA-N Synonym: norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine PubChem CID: 439260 ChEBI: CHEBI:18357 IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol SMILES: NC[C@H](O)C1=CC=C(O)C(O)=C1

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PubChem CID	439260
CAS	51-41-2
Molecular Weight (g/mol)	169.18
ChEBI	CHEBI:18357
MDL Number	MFCD00025592
SMILES	NC[C@H](O)C1=CC=C(O)C(O)=C1
Synonym	norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine
IUPAC Name	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
InChI Key	SFLSHLFXELFNJZ-QMMMGPOBSA-N
Molecular Formula	C8H11NO3

3,5-Dihydroxybenzonitrile, 98%

CAS: 19179-36-3 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00016453 InChI Key: ABHOEQJNEOMTEK-UHFFFAOYSA-N Synonym: benzonitrile, 3,5-dihydroxy,benzonitrile,3,5-dihydroxy,3,5-dihydroxy benzonitrile,5-cyanoresorcinol,a-resorcylonitrile,pubchem13116,acmc-1bouo PubChem CID: 87952 IUPAC Name: 3,5-dihydroxybenzonitrile SMILES: OC1=CC(=CC(O)=C1)C#N

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Specifications

PubChem CID	87952
CAS	19179-36-3
Molecular Weight (g/mol)	135.12
MDL Number	MFCD00016453
SMILES	OC1=CC(=CC(O)=C1)C#N
Synonym	benzonitrile, 3,5-dihydroxy,benzonitrile,3,5-dihydroxy,3,5-dihydroxy benzonitrile,5-cyanoresorcinol,a-resorcylonitrile,pubchem13116,acmc-1bouo
IUPAC Name	3,5-dihydroxybenzonitrile
InChI Key	ABHOEQJNEOMTEK-UHFFFAOYSA-N
Molecular Formula	C7H5NO2

2,4,6-Tribromoresorcinol, 98%

CAS: 2437-49-2 Molecular Formula: C6H3Br3O2 Molecular Weight (g/mol): 346.8 MDL Number: MFCD00009717 InChI Key: YADZSMVDNYXOOB-UHFFFAOYSA-N Synonym: 2,4,6-tribromoresorcinol,resorcinol, 2,4,6-tribromo,1,3-benzenediol, 2,4,6-tribromo,2,6-tribromoresorcinol,acmc-209gbn,2,4,6-tribromresorcin,2,4,6-tribromoresorcino,resorcinol,4,6-tribromo,1, 2,4,6-tribromo,4-06-00-05688 beilstein handbook reference PubChem CID: 17094 IUPAC Name: 2,4,6-tribromobenzene-1,3-diol SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)Br

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Specifications

PubChem CID	17094
CAS	2437-49-2
Molecular Weight (g/mol)	346.8
MDL Number	MFCD00009717
SMILES	C1=C(C(=C(C(=C1Br)O)Br)O)Br
Synonym	2,4,6-tribromoresorcinol,resorcinol, 2,4,6-tribromo,1,3-benzenediol, 2,4,6-tribromo,2,6-tribromoresorcinol,acmc-209gbn,2,4,6-tribromresorcin,2,4,6-tribromoresorcino,resorcinol,4,6-tribromo,1, 2,4,6-tribromo,4-06-00-05688 beilstein handbook reference
IUPAC Name	2,4,6-tribromobenzene-1,3-diol
InChI Key	YADZSMVDNYXOOB-UHFFFAOYSA-N
Molecular Formula	C6H3Br3O2

Fenoterol hydrobromide, MP Biomedicals™

CAS: 13392-18-2 Molecular Formula: C17H21NO4 Molecular Weight (g/mol): 303.358 InChI Key: LSLYOANBFKQKPT-UHFFFAOYSA-N Synonym: fenoterol,phenoterol,fenoterolum,berotec,fenoterolum inn-latin,berotek,p-hydroxyphenylorciprenaline,p-hydroxyphenyl-orciprenaline,fenoterol usan:ban:inn,1-3,5-dihydroxyphenyl-1-hydroxy-2-4-hydroxyphenyl isopropylamino ethane PubChem CID: 3343 ChEBI: CHEBI:149226 IUPAC Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol SMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O

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Specifications

PubChem CID	3343
CAS	13392-18-2
Molecular Weight (g/mol)	303.358
ChEBI	CHEBI:149226
SMILES	CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
Synonym	fenoterol,phenoterol,fenoterolum,berotec,fenoterolum inn-latin,berotek,p-hydroxyphenylorciprenaline,p-hydroxyphenyl-orciprenaline,fenoterol usan:ban:inn,1-3,5-dihydroxyphenyl-1-hydroxy-2-4-hydroxyphenyl isopropylamino ethane
IUPAC Name	5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
InChI Key	LSLYOANBFKQKPT-UHFFFAOYSA-N
Molecular Formula	C17H21NO4

DL-Adrenaline

CAS: 329-65-7 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00063027 InChI Key: UCTWMZQNUQWSLP-UHFFFAOYSA-N Synonym: dl-adrenaline,racepinephrine,racepinefrine,dl-epinephrine,+--adrenaline,epinephrine racemic,racepinefrina,racepinefrinum,+--epinephrine,4-1-hydroxy-2-methylamino ethyl benzene-1,2-diol PubChem CID: 838 ChEBI: CHEBI:33568 IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol SMILES: CNCC(C1=CC(=C(C=C1)O)O)O

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Specifications

PubChem CID	838
CAS	329-65-7
Molecular Weight (g/mol)	183.207
ChEBI	CHEBI:33568
MDL Number	MFCD00063027
SMILES	CNCC(C1=CC(=C(C=C1)O)O)O
Synonym	dl-adrenaline,racepinephrine,racepinefrine,dl-epinephrine,+--adrenaline,epinephrine racemic,racepinefrina,racepinefrinum,+--epinephrine,4-1-hydroxy-2-methylamino ethyl benzene-1,2-diol
IUPAC Name	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
InChI Key	UCTWMZQNUQWSLP-UHFFFAOYSA-N
Molecular Formula	C9H13NO3

3-Bromocatechol, 95%

CAS: 14381-51-2 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.008 MDL Number: MFCD00869768 InChI Key: JPBDMIWPTFDFEU-UHFFFAOYSA-N Synonym: 3-bromocatechol,3-bromopyrocatechol,1-bromo-2,3-dihydroxybenzene,1,2-benzenediol, 3-bromo,benzenediol, bromo,3-bromo-1,2-benzenediol,2,3-dihydroxy-bromobenzene,bromocatechol,3-bromoatechol,pubchem19085 PubChem CID: 26659 IUPAC Name: 3-bromobenzene-1,2-diol SMILES: C1=CC(=C(C(=C1)Br)O)O

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PubChem CID	26659
CAS	14381-51-2
Molecular Weight (g/mol)	189.008
MDL Number	MFCD00869768
SMILES	C1=CC(=C(C(=C1)Br)O)O
Synonym	3-bromocatechol,3-bromopyrocatechol,1-bromo-2,3-dihydroxybenzene,1,2-benzenediol, 3-bromo,benzenediol, bromo,3-bromo-1,2-benzenediol,2,3-dihydroxy-bromobenzene,bromocatechol,3-bromoatechol,pubchem19085
IUPAC Name	3-bromobenzene-1,2-diol
InChI Key	JPBDMIWPTFDFEU-UHFFFAOYSA-N
Molecular Formula	C6H5BrO2

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-Iodoresorcinol, 97%

CAS: 41046-67-7 Molecular Formula: C6H5IO2 Molecular Weight (g/mol): 236.008 MDL Number: MFCD09701440 InChI Key: BNJXHRMYHDWZKL-UHFFFAOYSA-N Synonym: 2-iodoresorcinol,2-iodo-1,3-benzenediol,1,3-benzenediol, 2-iodo,2-iodo-1,3-dihydroxybenzene,iodoresorcinol,ambkkkkk491,acmc-1aol8,1,3-benzenediol,2-iodo,2-iodo-benzene-1,3-diol,2-iodo-1,3-benzenediol # PubChem CID: 616833 IUPAC Name: 2-iodobenzene-1,3-diol SMILES: C1=CC(=C(C(=C1)O)I)O

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Specifications

PubChem CID	616833
CAS	41046-67-7
Molecular Weight (g/mol)	236.008
MDL Number	MFCD09701440
SMILES	C1=CC(=C(C(=C1)O)I)O
Synonym	2-iodoresorcinol,2-iodo-1,3-benzenediol,1,3-benzenediol, 2-iodo,2-iodo-1,3-dihydroxybenzene,iodoresorcinol,ambkkkkk491,acmc-1aol8,1,3-benzenediol,2-iodo,2-iodo-benzene-1,3-diol,2-iodo-1,3-benzenediol #
IUPAC Name	2-iodobenzene-1,3-diol
InChI Key	BNJXHRMYHDWZKL-UHFFFAOYSA-N
Molecular Formula	C6H5IO2

Methyl caffeate

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

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Specifications

PubChem CID	689075
CAS	3843-74-1
Molecular Weight (g/mol)	194.186
ChEBI	CHEBI:6856
MDL Number	MFCD00210468
SMILES	COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym	methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name	methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key	OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula	C10H10O4

Nordihydroguaiaretic acid, 95%

CAS: 500-38-9 Molecular Formula: C₁₈H₂₂O₄ Molecular Weight (g/mol): 302.37 MDL Number: MFCD00002206 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

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Specifications

PubChem CID	4534
CAS	500-38-9
Molecular Weight (g/mol)	302.37
ChEBI	CHEBI:7625
MDL Number	MFCD00002206
SMILES	CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Synonym	nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane
IUPAC Name	4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChI Key	HCZKYJDFEPMADG-UHFFFAOYSA-N
Molecular Formula	C₁₈H₂₂O₄

Resveratrol 99.0+%, TCI America™

CAS: 501-36-0 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00133799 InChI Key: LUKBXSAWLPMMSZ-OWOJBTEDSA-N Synonym: resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol PubChem CID: 445154 ChEBI: CHEBI:45713 IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

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Specifications

PubChem CID	445154
CAS	501-36-0
Molecular Weight (g/mol)	228.247
ChEBI	CHEBI:45713
MDL Number	MFCD00133799
SMILES	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Synonym	resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol
IUPAC Name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Molecular Formula	C14H12O3

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