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Benzenediols

Aromatic organic compounds that consist of a benzene ring with two hydroxyl functional group substitutions.
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1

Nordihydorguaiaretic acid, 99%, For HPLC analysis, MP Biomedicals™

CAS: 500-38-9 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 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

PubChem CID 4534
CAS 500-38-9
Molecular Weight (g/mol) 302.37
ChEBI CHEBI:7625
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
2

Caffeic Acid 98.0+%, TCI America™

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 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

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:16433
MDL Number MFCD00004392
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
3

Calcium Dobesilate Hydrate 98.0+%, TCI America™

CAS: 117552-78-0 Molecular Formula: C12H12CaO11S2 Molecular Weight (g/mol): 436.415 MDL Number: MFCD00867249 InChI Key: JMTQBGBMQZPWCS-UHFFFAOYSA-L Synonym: Calcium 2,5-Dihydroxybenzenesulfonate, 2,5-Dihydroxybenzenesulfonic Acid Calcium Salt PubChem CID: 45358052 IUPAC Name: calcium;2,5-dihydroxybenzenesulfonate;hydrate SMILES: C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.O.[Ca+2]

PubChem CID 45358052
CAS 117552-78-0
Molecular Weight (g/mol) 436.415
MDL Number MFCD00867249
SMILES C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.O.[Ca+2]
Synonym Calcium 2,5-Dihydroxybenzenesulfonate, 2,5-Dihydroxybenzenesulfonic Acid Calcium Salt
IUPAC Name calcium;2,5-dihydroxybenzenesulfonate;hydrate
InChI Key JMTQBGBMQZPWCS-UHFFFAOYSA-L
Molecular Formula C12H12CaO11S2
4

3,4-Dihydroxybenzoic Acid 98.0+%, TCI America™

CAS: 99-50-3 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002509 InChI Key: YQUVCSBJEUQKSH-UHFFFAOYSA-N Synonym: protocatechuic acid,4-carboxy-1,2-dihydroxybenzene,protocatehuic acid,benzoic acid, 3,4-dihydroxy,protocatechuate,4,5-dihydroxybenzoic acid,3,4-dihydroxybenzoicacid,unii-36r5qj8l4b,ccris 6291,chembl37537 PubChem CID: 72 ChEBI: CHEBI:36062 IUPAC Name: 3,4-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)O

PubChem CID 72
CAS 99-50-3
Molecular Weight (g/mol) 154.121
ChEBI CHEBI:36062
MDL Number MFCD00002509
SMILES C1=CC(=C(C=C1C(=O)O)O)O
Synonym protocatechuic acid,4-carboxy-1,2-dihydroxybenzene,protocatehuic acid,benzoic acid, 3,4-dihydroxy,protocatechuate,4,5-dihydroxybenzoic acid,3,4-dihydroxybenzoicacid,unii-36r5qj8l4b,ccris 6291,chembl37537
IUPAC Name 3,4-dihydroxybenzoic acid
InChI Key YQUVCSBJEUQKSH-UHFFFAOYSA-N
Molecular Formula C7H6O4
5

2,5-Dihydroxybenzoic Acid Sodium Salt Hydrate 98.0+%, TCI America™

CAS: 4955-90-2 Molecular Formula: C7H5NaO4 Molecular Weight (g/mol): 176.103 MDL Number: MFCD00150273 InChI Key: MOIJZWWOFOQFMH-UHFFFAOYSA-M Synonym: Gentisic Acid Sodium Salt PubChem CID: 23663629 IUPAC Name: sodium;2,5-dihydroxybenzoate SMILES: C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]

PubChem CID 23663629
CAS 4955-90-2
Molecular Weight (g/mol) 176.103
MDL Number MFCD00150273
SMILES C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]
Synonym Gentisic Acid Sodium Salt
IUPAC Name sodium;2,5-dihydroxybenzoate
InChI Key MOIJZWWOFOQFMH-UHFFFAOYSA-M
Molecular Formula C7H5NaO4
6

Homogentisic Acid 97.0+%, TCI America™

CAS: 451-13-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00004324 InChI Key: IGMNYECMUMZDDF-UHFFFAOYSA-N Synonym: homogentisic acid,2,5-dihydroxyphenylacetic acid,alcapton,homogentisate acid,homogentisinic acid,2,5-dihydroxyphenyl acetic acid,homogentisate,benzeneacetic acid, 2,5-dihydroxy,2-2,5-dihydroxyphenyl acetic acid,2,5-dihydroxy-alpha-toluic acid PubChem CID: 780 ChEBI: CHEBI:44747 IUPAC Name: 2-(2,5-dihydroxyphenyl)acetic acid SMILES: OC(=O)CC1=CC(O)=CC=C1O

PubChem CID 780
CAS 451-13-8
Molecular Weight (g/mol) 168.15
ChEBI CHEBI:44747
MDL Number MFCD00004324
SMILES OC(=O)CC1=CC(O)=CC=C1O
Synonym homogentisic acid,2,5-dihydroxyphenylacetic acid,alcapton,homogentisate acid,homogentisinic acid,2,5-dihydroxyphenyl acetic acid,homogentisate,benzeneacetic acid, 2,5-dihydroxy,2-2,5-dihydroxyphenyl acetic acid,2,5-dihydroxy-alpha-toluic acid
IUPAC Name 2-(2,5-dihydroxyphenyl)acetic acid
InChI Key IGMNYECMUMZDDF-UHFFFAOYSA-N
Molecular Formula C8H8O4
7

Phenethyl Caffeate 98.0+%, TCI America™

CAS: 104594-70-9 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00866470 InChI Key: SWUARLUWKZWEBQ-VQHVLOKHSA-N Synonym: caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester PubChem CID: 5281787 ChEBI: CHEBI:8062 IUPAC Name: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O

PubChem CID 5281787
CAS 104594-70-9
Molecular Weight (g/mol) 284.31
ChEBI CHEBI:8062
MDL Number MFCD00866470
SMILES OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O
Synonym caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester
IUPAC Name 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Molecular Formula C17H16O4
8

Nordihydroguaiaretic Acid 97.0+%, TCI America™

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

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
9

Methyl 2,5-Dihydroxycinnamate 96.0+%, TCI America™

CAS: 63177-57-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00132932 InChI Key: BQCNSTFWSKOWMA-GORDUTHDSA-N Synonym: methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester PubChem CID: 5353609 ChEBI: CHEBI:84089 IUPAC Name: methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)\C=C\C1=CC(O)=CC=C1O

PubChem CID 5353609
CAS 63177-57-1
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:84089
MDL Number MFCD00132932
SMILES COC(=O)\C=C\C1=CC(O)=CC=C1O
Synonym methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester
IUPAC Name methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
InChI Key BQCNSTFWSKOWMA-GORDUTHDSA-N
Molecular Formula C10H10O4
10

DL-Adrenaline Hydrochloride 98.0+%, TCI America™

CAS: 329-63-5 Molecular Formula: C9H14ClNO3 Molecular Weight (g/mol): 219.665 MDL Number: MFCD00050562 InChI Key: ATADHKWKHYVBTJ-UHFFFAOYSA-N Synonym: DL-Epinephrine Hydrochloride PubChem CID: 5924 IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride SMILES: CNCC(C1=CC(=C(C=C1)O)O)O.Cl

PubChem CID 5924
CAS 329-63-5
Molecular Weight (g/mol) 219.665
MDL Number MFCD00050562
SMILES CNCC(C1=CC(=C(C=C1)O)O)O.Cl
Synonym DL-Epinephrine Hydrochloride
IUPAC Name 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
InChI Key ATADHKWKHYVBTJ-UHFFFAOYSA-N
Molecular Formula C9H14ClNO3
11

2,5-Dihydroxybenzoic Acid Butylamine Salt 98.0+%, TCI America™

CAS: 666174-80-7 Molecular Formula: C11H17NO4 Molecular Weight (g/mol): 227.26 InChI Key: OGLUKKYDTRVMHP-UHFFFAOYSA-N Synonym: Butylammonium 2,5-Dihydroxybenzoate, DHBB, DHB/B PubChem CID: 69807822 IUPAC Name: butan-1-amine;2,5-dihydroxybenzoic acid SMILES: CCCCN.C1=CC(=C(C=C1O)C(=O)O)O

PubChem CID 69807822
CAS 666174-80-7
Molecular Weight (g/mol) 227.26
SMILES CCCCN.C1=CC(=C(C=C1O)C(=O)O)O
Synonym Butylammonium 2,5-Dihydroxybenzoate, DHBB, DHB/B
IUPAC Name butan-1-amine;2,5-dihydroxybenzoic acid
InChI Key OGLUKKYDTRVMHP-UHFFFAOYSA-N
Molecular Formula C11H17NO4
12

Etamsylate 98.0+%, TCI America™

CAS: 2624-44-4 Molecular Formula: C10H17NO5S Molecular Weight (g/mol): 263.308 MDL Number: MFCD00867499 InChI Key: HBGOLJKPSFNJSD-UHFFFAOYSA-N Synonym: Diethylamine 2,5-Dihydroxybenzenesulfonate PubChem CID: 17506 IUPAC Name: 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine SMILES: CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)O

PubChem CID 17506
CAS 2624-44-4
Molecular Weight (g/mol) 263.308
MDL Number MFCD00867499
SMILES CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)O
Synonym Diethylamine 2,5-Dihydroxybenzenesulfonate
IUPAC Name 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
InChI Key HBGOLJKPSFNJSD-UHFFFAOYSA-N
Molecular Formula C10H17NO5S
13

3,5-Dihydroxybenzamide 98.0+%, TCI America™

CAS: 3147-62-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00017123 InChI Key: PLYYMFBDRBSPJZ-UHFFFAOYSA-N Synonym: benzamide, 3,5-dihydroxy,3,5-dihydroxy-benzamide,alpha-resorcylamide,3,5-resorcylic acidamide,3,5-dihydroxybenzoic acid amide,.alpha.-resorcylamide,pubchem13928,a-resorcyl amide,acmc-1coua,ksc494k8l PubChem CID: 76604 IUPAC Name: 3,5-dihydroxybenzamide SMILES: C1=C(C=C(C=C1O)O)C(=O)N

PubChem CID 76604
CAS 3147-62-4
Molecular Weight (g/mol) 153.137
MDL Number MFCD00017123
SMILES C1=C(C=C(C=C1O)O)C(=O)N
Synonym benzamide, 3,5-dihydroxy,3,5-dihydroxy-benzamide,alpha-resorcylamide,3,5-resorcylic acidamide,3,5-dihydroxybenzoic acid amide,.alpha.-resorcylamide,pubchem13928,a-resorcyl amide,acmc-1coua,ksc494k8l
IUPAC Name 3,5-dihydroxybenzamide
InChI Key PLYYMFBDRBSPJZ-UHFFFAOYSA-N
Molecular Formula C7H7NO3
14

2,5-Dihydroxybenzoic Acid 98.0+%, TCI America™

CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O

PubChem CID 3469
CAS 490-79-9
Molecular Weight (g/mol) 154.121
ChEBI CHEBI:17189
MDL Number MFCD00002460
SMILES C1=CC(=C(C=C1O)C(=O)O)O
Synonym gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid
IUPAC Name 2,5-dihydroxybenzoic acid
InChI Key WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula C7H6O4
15

4-Bromo-3,5-dihydroxybenzoic Acid 97.0+%, TCI America™

CAS: 16534-12-6 Molecular Formula: C7H5BrO4 Molecular Weight (g/mol): 233.017 MDL Number: MFCD00002513 InChI Key: NUTRHYYFCDEALP-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3,5-dihydroxy,4-bromo-3,5-resorcylic acid,4-bromo-alpha-resorcylic acid,4-bromo-3,5-dihydroxybenzic acid,.alpha.-resorcylic acid, 4-bromo,4-bromo-3,5-dihydroxy-benzoic acid,alpha-resorcylic acid, 4-bromo,pubchem8196,acmc-209dsh,ksc177s3r PubChem CID: 86023 IUPAC Name: 4-bromo-3,5-dihydroxybenzoic acid SMILES: C1=C(C=C(C(=C1O)Br)O)C(=O)O

PubChem CID 86023
CAS 16534-12-6
Molecular Weight (g/mol) 233.017
MDL Number MFCD00002513
SMILES C1=C(C=C(C(=C1O)Br)O)C(=O)O
Synonym benzoic acid, 4-bromo-3,5-dihydroxy,4-bromo-3,5-resorcylic acid,4-bromo-alpha-resorcylic acid,4-bromo-3,5-dihydroxybenzic acid,.alpha.-resorcylic acid, 4-bromo,4-bromo-3,5-dihydroxy-benzoic acid,alpha-resorcylic acid, 4-bromo,pubchem8196,acmc-209dsh,ksc177s3r
IUPAC Name 4-bromo-3,5-dihydroxybenzoic acid
InChI Key NUTRHYYFCDEALP-UHFFFAOYSA-N
Molecular Formula C7H5BrO4