Hydroxybenzoic Acid Derivatives

Organic compounds that are directly derived from hydroxybenzoic acid; hydroxybenzoic acid consists of benzoic acid with a hydroxyl group substitution.

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Sodium Salicylate (Powder/Certified), Fisher Chemical

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

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PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

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Specifications

PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

4-Chloro-2-methylbenzoic acid, 98%

CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852

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Specifications

CAS	7499-07-2
Molecular Weight (g/mol)	170.59
MDL Number	MFCD00045852
Molecular Formula	C8H7ClO2

4-Fluorobenzoic acid, 99%

CAS: 456-22-4 Molecular Formula: C₇H₅FO₂ Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F

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PubChem CID	9973
CAS	456-22-4
Molecular Weight (g/mol)	140.11
ChEBI	CHEBI:20364
MDL Number	MFCD00002530
SMILES	C1=CC(=CC=C1C(=O)O)F
Synonym	p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid
IUPAC Name	4-fluorobenzoic acid
InChI Key	BBYDXOIZLAWGSL-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO₂

O-Acetylsalicylic acid, 99%

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

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Specifications

PubChem CID	2244
CAS	50-78-2
Molecular Weight (g/mol)	180.16
ChEBI	CHEBI:15365
MDL Number	MFCD00002430
SMILES	CC(=O)OC1=CC=CC=C1C(O)=O
Synonym	aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin
IUPAC Name	2-acetyloxybenzoic acid
InChI Key	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula	C9H8O4

5-Bromo-2-methylbenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 79669-49-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00267350 InChI Key: SEENCYZQHCUTSB-UHFFFAOYSA-N Synonym: 2-methyl-5-bromobenzoic acid,5-bromo-o-toluic acid,5-bromo-2-methyl-benzoic acid,5-bromo-2-methyl benzoic acid,synquest 2721-9-x8,benzoic acid, 5-bromo-2-methyl,pubchem4728,acmc-1bhwo,3-bromo-6-methylbenzoic acid,ksc497q7f PubChem CID: 346004 IUPAC Name: 5-bromo-2-methylbenzoic acid SMILES: CC1=CC=C(Br)C=C1C(O)=O

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PubChem CID	346004
CAS	79669-49-1
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00267350
SMILES	CC1=CC=C(Br)C=C1C(O)=O
Synonym	2-methyl-5-bromobenzoic acid,5-bromo-o-toluic acid,5-bromo-2-methyl-benzoic acid,5-bromo-2-methyl benzoic acid,synquest 2721-9-x8,benzoic acid, 5-bromo-2-methyl,pubchem4728,acmc-1bhwo,3-bromo-6-methylbenzoic acid,ksc497q7f
IUPAC Name	5-bromo-2-methylbenzoic acid
InChI Key	SEENCYZQHCUTSB-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

3-Ethoxy-2,4-difluorobenzoic acid, 97%

CAS: 1017779-88-2 Molecular Formula: C9H8F2O3 Molecular Weight (g/mol): 202.157 MDL Number: MFCD09258723 InChI Key: KUOUFQUWQYELBO-UHFFFAOYSA-N Synonym: 3-ethoxy-2,4-difluorobenzoic acid, jrd PubChem CID: 46737640 IUPAC Name: 3-ethoxy-2,4-difluorobenzoic acid SMILES: CCOC1=C(C=CC(=C1F)C(=O)O)F

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Specifications

PubChem CID	46737640
CAS	1017779-88-2
Molecular Weight (g/mol)	202.157
MDL Number	MFCD09258723
SMILES	CCOC1=C(C=CC(=C1F)C(=O)O)F
Synonym	3-ethoxy-2,4-difluorobenzoic acid, jrd
IUPAC Name	3-ethoxy-2,4-difluorobenzoic acid
InChI Key	KUOUFQUWQYELBO-UHFFFAOYSA-N
Molecular Formula	C9H8F2O3

3,5-Difluorosalicylic acid, 98+%, Thermo Scientific Chemicals

CAS: 84376-20-5 Molecular Formula: C7H4F2O3 Molecular Weight (g/mol): 174.103 MDL Number: MFCD06203609 InChI Key: GZPCNALAXFNOBT-UHFFFAOYSA-N Synonym: 3,5-difluorosalicylic acid,3,5-difluoro-salicylic acid,benzoic acid, 3,5-difluoro-2-hydroxy PubChem CID: 10888405 IUPAC Name: 3,5-difluoro-2-hydroxybenzoic acid SMILES: C1=C(C=C(C(=C1F)O)C(=O)O)F

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Specifications

PubChem CID	10888405
CAS	84376-20-5
Molecular Weight (g/mol)	174.103
MDL Number	MFCD06203609
SMILES	C1=C(C=C(C(=C1F)O)C(=O)O)F
Synonym	3,5-difluorosalicylic acid,3,5-difluoro-salicylic acid,benzoic acid, 3,5-difluoro-2-hydroxy
IUPAC Name	3,5-difluoro-2-hydroxybenzoic acid
InChI Key	GZPCNALAXFNOBT-UHFFFAOYSA-N
Molecular Formula	C7H4F2O3

3-Aminosalicylic acid, 97%

CAS: 570-23-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00010299 InChI Key: IQGMRVWUTCYCST-UHFFFAOYSA-N Synonym: 3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy PubChem CID: 68443 IUPAC Name: 3-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)N)O)C(=O)O

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PubChem CID	68443
CAS	570-23-0
Molecular Weight (g/mol)	153.137
MDL Number	MFCD00010299
SMILES	C1=CC(=C(C(=C1)N)O)C(=O)O
Synonym	3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy
IUPAC Name	3-amino-2-hydroxybenzoic acid
InChI Key	IQGMRVWUTCYCST-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

4-Bromo-2-fluorobenzoic acid, 98%

CAS: 112704-79-7 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00143263 InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-M Synonym: 2-fluoro-4-bromobenzoic acid,4-bromo-2-fluoro-benzoic acid,4-bromo-2-fluorobenzoicacid,benzoic acid, 4-bromo-2-fluoro,pubchem1313,enzalutamide impurity a,acmc-1btmf,2-fluro-4-bromobenzoic acid,ksc174m4p,rarechem al bo 0754 PubChem CID: 302681 IUPAC Name: 4-bromo-2-fluorobenzoic acid SMILES: [O-]C(=O)C1=CC=C(Br)C=C1F

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Specifications

PubChem CID	302681
CAS	112704-79-7
Molecular Weight (g/mol)	218.00
MDL Number	MFCD00143263
SMILES	[O-]C(=O)C1=CC=C(Br)C=C1F
Synonym	2-fluoro-4-bromobenzoic acid,4-bromo-2-fluoro-benzoic acid,4-bromo-2-fluorobenzoicacid,benzoic acid, 4-bromo-2-fluoro,pubchem1313,enzalutamide impurity a,acmc-1btmf,2-fluro-4-bromobenzoic acid,ksc174m4p,rarechem al bo 0754
IUPAC Name	4-bromo-2-fluorobenzoic acid
InChI Key	ZQQSRVPOAHYHEL-UHFFFAOYSA-M
Molecular Formula	C7H3BrFO2

Methyl 2,5-dichlorobenzoate, 99%

CAS: 2905-69-3 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00000606 InChI Key: SPJQBGGHUDNAIC-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate PubChem CID: 17947 IUPAC Name: methyl 2,5-dichlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC=C1Cl

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PubChem CID	17947
CAS	2905-69-3
Molecular Weight (g/mol)	205.03
MDL Number	MFCD00000606
SMILES	COC(=O)C1=CC(Cl)=CC=C1Cl
Synonym	2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate
IUPAC Name	methyl 2,5-dichlorobenzoate
InChI Key	SPJQBGGHUDNAIC-UHFFFAOYSA-N
Molecular Formula	C8H6Cl2O2

Methyl 3-chloro-5-iodobenzoate, 98%, Thermo Scientific Chemicals

CAS: 289039-85-6 Molecular Formula: C8H6ClIO2 Molecular Weight (g/mol): 296.488 MDL Number: MFCD00673018 InChI Key: ZDSIXLJPASGHDW-UHFFFAOYSA-N Synonym: acmc-20akhf,methyl 5-chloro-3-iodobenzoate,3-chloro-5-iodo-benzoic acid methyl ester,3-chloro-5-iodobenzoic acid methyl ester PubChem CID: 24721134 IUPAC Name: methyl 3-chloro-5-iodobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)I)Cl

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Specifications

PubChem CID	24721134
CAS	289039-85-6
Molecular Weight (g/mol)	296.488
MDL Number	MFCD00673018
SMILES	COC(=O)C1=CC(=CC(=C1)I)Cl
Synonym	acmc-20akhf,methyl 5-chloro-3-iodobenzoate,3-chloro-5-iodo-benzoic acid methyl ester,3-chloro-5-iodobenzoic acid methyl ester
IUPAC Name	methyl 3-chloro-5-iodobenzoate
InChI Key	ZDSIXLJPASGHDW-UHFFFAOYSA-N
Molecular Formula	C8H6ClIO2

Methyl 2-bromo-4-methylbenzoate, 98%

CAS: 87808-49-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD03840737 InChI Key: DJTUYAFJAGLQCK-UHFFFAOYSA-N Synonym: methyl2-bromo-4-methylbenzoate,2-bromo-4-methylbenzoic acid methyl ester,benzoic acid, 2-bromo-4-methyl-, methyl ester,pubchem14035,acmc-209qq7,ksc495m0h,methyl 2-bromo-4-methyl-benzoate,2-bromo-4-methyl-benzoic acid methyl ester PubChem CID: 21779704 IUPAC Name: methyl 2-bromo-4-methylbenzoate SMILES: CC1=CC(=C(C=C1)C(=O)OC)Br

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Specifications

PubChem CID	21779704
CAS	87808-49-9
Molecular Weight (g/mol)	229.073
MDL Number	MFCD03840737
SMILES	CC1=CC(=C(C=C1)C(=O)OC)Br
Synonym	methyl2-bromo-4-methylbenzoate,2-bromo-4-methylbenzoic acid methyl ester,benzoic acid, 2-bromo-4-methyl-, methyl ester,pubchem14035,acmc-209qq7,ksc495m0h,methyl 2-bromo-4-methyl-benzoate,2-bromo-4-methyl-benzoic acid methyl ester
IUPAC Name	methyl 2-bromo-4-methylbenzoate
InChI Key	DJTUYAFJAGLQCK-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

Methyl 4-fluoro-2-methylbenzoate, 98%

CAS: 174403-69-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD06203790 InChI Key: ZQFCTCYDRQFPBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester PubChem CID: 2782181 IUPAC Name: methyl 4-fluoro-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(F)C=C1

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Specifications

PubChem CID	2782181
CAS	174403-69-1
Molecular Weight (g/mol)	168.17
MDL Number	MFCD06203790
SMILES	COC(=O)C1=C(C)C=C(F)C=C1
Synonym	benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester
IUPAC Name	methyl 4-fluoro-2-methylbenzoate
InChI Key	ZQFCTCYDRQFPBU-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

2-Chloro-4-methylsulphonylbenzoic acid, 95%, Thermo Scientific™

CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1

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Specifications

PubChem CID	735863
CAS	53250-83-2
Molecular Weight (g/mol)	233.64
MDL Number	MFCD00216496
SMILES	CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
Synonym	2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa
IUPAC Name	2-chloro-4-methylsulfonylbenzoic acid
InChI Key	CTTWSFIIFMWHLQ-UHFFFAOYSA-M
Molecular Formula	C8H6ClO4S

Hydroxybenzoic Acid Derivatives

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