Hydroxybenzoic Acid Derivatives

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Oxyclozanide, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

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2,3-Dihydroxybenzoic acid, 99%

CAS: 303-38-8 Molecular Formula: C₇H₆O₄ Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O

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Specifications

PubChem CID	19
CAS	303-38-8
Molecular Weight (g/mol)	154.12
ChEBI	CHEBI:18026
MDL Number	MFCD00002446
SMILES	C1=CC(=C(C(=C1)O)O)C(=O)O
Synonym	pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid
IUPAC Name	2,3-dihydroxybenzoic acid
InChI Key	GLDQAMYCGOIJDV-UHFFFAOYSA-N
Molecular Formula	C₇H₆O₄

4-Bromo-3-methylbenzoic acid, 98%

CAS: 7697-28-1 Molecular Formula: C8H6BrO2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00039526 InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-M Synonym: 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b PubChem CID: 82131 IUPAC Name: 4-bromo-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Br)C([O-])=O

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Specifications

PubChem CID	82131
CAS	7697-28-1
Molecular Weight (g/mol)	214.04
MDL Number	MFCD00039526
SMILES	CC1=CC(=CC=C1Br)C([O-])=O
Synonym	4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b
IUPAC Name	4-bromo-3-methylbenzoic acid
InChI Key	KWVXDZLVCISXIB-UHFFFAOYSA-M
Molecular Formula	C8H6BrO2

4-Bromo-3-methylbenzamide, 99%

CAS: 170229-98-8 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.062 MDL Number: MFCD00672914 InChI Key: ZPFPOZMNEKPBIF-UHFFFAOYSA-N Synonym: benzamide,4-bromo-3-methyl,pubchem3804,4-bromo-3-methyl-benzamide,acmc-1c5o5,4-bromanyl-3-methyl-benzamide PubChem CID: 7020869 IUPAC Name: 4-bromo-3-methylbenzamide SMILES: CC1=C(C=CC(=C1)C(=O)N)Br

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Specifications

PubChem CID	7020869
CAS	170229-98-8
Molecular Weight (g/mol)	214.062
MDL Number	MFCD00672914
SMILES	CC1=C(C=CC(=C1)C(=O)N)Br
Synonym	benzamide,4-bromo-3-methyl,pubchem3804,4-bromo-3-methyl-benzamide,acmc-1c5o5,4-bromanyl-3-methyl-benzamide
IUPAC Name	4-bromo-3-methylbenzamide
InChI Key	ZPFPOZMNEKPBIF-UHFFFAOYSA-N
Molecular Formula	C8H8BrNO

4-Fluoro-3-(methylcarbamoyl)benzeneboronic acid, 96%

CAS: 874219-19-9 Molecular Formula: C8H9BFNO3 Molecular Weight (g/mol): 196.97 MDL Number: MFCD08235038 InChI Key: DVDSMLPVTUSIFM-UHFFFAOYSA-N Synonym: 4-fluoro-3-methylcarbamoyl phenyl boronic acid,4-fluoro-3-methylcarbamoyl phenylboronic acid,4-fluoro-3-methylcarbamoyl benzeneboronic acid,acmc-209qkk,n-methyl 5-borono-2-fluorobenzamide,4-fluoro-3-methylcarbamoyl phenyl boronicacid,4-fluoro-3-methyl carbamoyl phenylboronic acid,4-fluoranyl-3-methylcarbamoyl phenyl boronic acid,boronic acid, 4-fluoro-3-methylamino carbonyl phenyl PubChem CID: 44717580 IUPAC Name: [4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid SMILES: CNC(=O)C1=C(F)C=CC(=C1)B(O)O

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Specifications

PubChem CID	44717580
CAS	874219-19-9
Molecular Weight (g/mol)	196.97
MDL Number	MFCD08235038
SMILES	CNC(=O)C1=C(F)C=CC(=C1)B(O)O
Synonym	4-fluoro-3-methylcarbamoyl phenyl boronic acid,4-fluoro-3-methylcarbamoyl phenylboronic acid,4-fluoro-3-methylcarbamoyl benzeneboronic acid,acmc-209qkk,n-methyl 5-borono-2-fluorobenzamide,4-fluoro-3-methylcarbamoyl phenyl boronicacid,4-fluoro-3-methyl carbamoyl phenylboronic acid,4-fluoranyl-3-methylcarbamoyl phenyl boronic acid,boronic acid, 4-fluoro-3-methylamino carbonyl phenyl
IUPAC Name	[4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid
InChI Key	DVDSMLPVTUSIFM-UHFFFAOYSA-N
Molecular Formula	C8H9BFNO3

Methyl 4-bromobenzoate, 99%

CAS: 619-42-1 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.05 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	12081
CAS	619-42-1
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00013531
SMILES	COC(=O)C1=CC=C(C=C1)Br
Synonym	benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate
IUPAC Name	methyl 4-bromobenzoate
InChI Key	CZNGTXVOZOWWKM-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

2,3,4-Trihydroxybenzoic acid, 97%

CAS: 610-02-6 Molecular Formula: C7H6O5 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00002447 InChI Key: BRRSNXCXLSVPFC-UHFFFAOYSA-N Synonym: 4-pyrogallolcarboxylic acid,pyrogallolcarboxylic acid,2,3,4-trihydroxybenzoate,unii-ad1id2jf5o,benzoic acid, trihydroxy,benzoic acid, 2,3,4-trihydroxy,pyrogallol-4-carboxylic acid,2,3,4-trihydroxybenzene carboxylic acid,ad1id2jf5o,pyrogallolcarboxylate PubChem CID: 11874 IUPAC Name: 2,3,4-trihydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C(O)=C1O

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Specifications

PubChem CID	11874
CAS	610-02-6
Molecular Weight (g/mol)	170.12
MDL Number	MFCD00002447
SMILES	OC(=O)C1=CC=C(O)C(O)=C1O
Synonym	4-pyrogallolcarboxylic acid,pyrogallolcarboxylic acid,2,3,4-trihydroxybenzoate,unii-ad1id2jf5o,benzoic acid, trihydroxy,benzoic acid, 2,3,4-trihydroxy,pyrogallol-4-carboxylic acid,2,3,4-trihydroxybenzene carboxylic acid,ad1id2jf5o,pyrogallolcarboxylate
IUPAC Name	2,3,4-trihydroxybenzoic acid
InChI Key	BRRSNXCXLSVPFC-UHFFFAOYSA-N
Molecular Formula	C7H6O5

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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Specifications

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

Ethyl 4-iodobenzoate, 97%

CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(I)C=C1

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Specifications

PubChem CID	142891
CAS	51934-41-9
Molecular Weight (g/mol)	276.07
MDL Number	MFCD00017344
SMILES	CCOC(=O)C1=CC=C(I)C=C1
Synonym	p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate
IUPAC Name	ethyl 4-iodobenzoate
InChI Key	YCBJOQUNPLTBGG-UHFFFAOYSA-N
Molecular Formula	C9H9IO2

3,4-Difluorosalicylic acid, 98%, Thermo Scientific Chemicals

CAS: 189283-51-0 Molecular Formula: C7H4F2O3 Molecular Weight (g/mol): 174.103 MDL Number: MFCD03428564 InChI Key: GWOOBUWKTOCYKY-UHFFFAOYSA-N Synonym: 3,4-difluorosalicylic acid,benzoic acid, 3,4-difluoro-2-hydroxy,3,4-difluoro-2-hydroxy-benzoic acid,acmc-20anf8,3,4-difluoro-hydroxybenzoic acid,3,4-difluro-2-hydroxybenzoic acid,3,4-difluoro-2-hydroxy benzoic acid,3,4-bis fluoranyl-2-oxidanyl-benzoic acid PubChem CID: 2758286 IUPAC Name: 3,4-difluoro-2-hydroxybenzoic acid SMILES: C1=CC(=C(C(=C1C(=O)O)O)F)F

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Specifications

PubChem CID	2758286
CAS	189283-51-0
Molecular Weight (g/mol)	174.103
MDL Number	MFCD03428564
SMILES	C1=CC(=C(C(=C1C(=O)O)O)F)F
Synonym	3,4-difluorosalicylic acid,benzoic acid, 3,4-difluoro-2-hydroxy,3,4-difluoro-2-hydroxy-benzoic acid,acmc-20anf8,3,4-difluoro-hydroxybenzoic acid,3,4-difluro-2-hydroxybenzoic acid,3,4-difluoro-2-hydroxy benzoic acid,3,4-bis fluoranyl-2-oxidanyl-benzoic acid
IUPAC Name	3,4-difluoro-2-hydroxybenzoic acid
InChI Key	GWOOBUWKTOCYKY-UHFFFAOYSA-N
Molecular Formula	C7H4F2O3

5-Methylsalicylic acid, 98%

CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O

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Specifications

PubChem CID	6973
CAS	89-56-5
Molecular Weight (g/mol)	152.149
MDL Number	MFCD00002461
SMILES	CC1=CC(=C(C=C1)O)C(=O)O
Synonym	5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid
IUPAC Name	2-hydroxy-5-methylbenzoic acid
InChI Key	DLGBEGBHXSAQOC-UHFFFAOYSA-N
Molecular Formula	C8H8O3

5-Bromosalicylic acid, 98%

CAS: 89-55-4 Molecular Formula: C7H5BrO3 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00002455 InChI Key: IEJOONSLOGAXNO-UHFFFAOYSA-N Synonym: 5-bromosalicylic acid,benzoic acid, 5-bromo-2-hydroxy,salicylic acid, 5-bromo,2-hydroxy-5-bromobenzoic acid,benzoic acid, 3-bromo-6-hydroxy,5-bromo-2-hydroxy-benzoic acid,5-bromo-2-hydroxybenzoic acid,5-bromsalicylic acid,5-bromosalicyclic acid,acmc-209r1n PubChem CID: 6972 IUPAC Name: 5-bromo-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(Br)=CC=C1O

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Specifications

PubChem CID	6972
CAS	89-55-4
Molecular Weight (g/mol)	217.02
MDL Number	MFCD00002455
SMILES	OC(=O)C1=CC(Br)=CC=C1O
Synonym	5-bromosalicylic acid,benzoic acid, 5-bromo-2-hydroxy,salicylic acid, 5-bromo,2-hydroxy-5-bromobenzoic acid,benzoic acid, 3-bromo-6-hydroxy,5-bromo-2-hydroxy-benzoic acid,5-bromo-2-hydroxybenzoic acid,5-bromsalicylic acid,5-bromosalicyclic acid,acmc-209r1n
IUPAC Name	5-bromo-2-hydroxybenzoic acid
InChI Key	IEJOONSLOGAXNO-UHFFFAOYSA-N
Molecular Formula	C7H5BrO3

2-Hydroxybenzhydrazide, 98+%

CAS: 936-02-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007599 InChI Key: XSXYESVZDBAKKT-UHFFFAOYSA-N Synonym: salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide PubChem CID: 13637 IUPAC Name: 2-hydroxybenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)O

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Specifications

PubChem CID	13637
CAS	936-02-7
Molecular Weight (g/mol)	152.153
MDL Number	MFCD00007599
SMILES	C1=CC=C(C(=C1)C(=O)NN)O
Synonym	salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide
IUPAC Name	2-hydroxybenzohydrazide
InChI Key	XSXYESVZDBAKKT-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

2,4,6-Trichlorobenzoic acid, 94%

CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl

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Specifications

PubChem CID	5764
CAS	50-43-1
Molecular Weight (g/mol)	225.449
MDL Number	MFCD00060699
SMILES	C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
Synonym	benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f
IUPAC Name	2,4,6-trichlorobenzoic acid
InChI Key	RAFFVQBMVYYTQS-UHFFFAOYSA-N
Molecular Formula	C7H3Cl3O2

Methyl 3,4-dichlorobenzoate, 97%, Thermo Scientific Chemicals

CAS: 2905-68-2 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00018165 InChI Key: WICGATIORFSOJL-UHFFFAOYSA-N PubChem CID: 76193 IUPAC Name: methyl 3,4-dichlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(Cl)=C1

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Specifications

PubChem CID	76193
CAS	2905-68-2
Molecular Weight (g/mol)	205.03
MDL Number	MFCD00018165
SMILES	COC(=O)C1=CC=C(Cl)C(Cl)=C1
IUPAC Name	methyl 3,4-dichlorobenzoate
InChI Key	WICGATIORFSOJL-UHFFFAOYSA-N
Molecular Formula	C8H6Cl2O2

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Hydroxybenzoic Acid Derivatives

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