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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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Thermo Scientific Chemicals Furosemide, 97+%

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

EDGE
PubChem CID 3440
CAS 54-31-9
Molecular Weight (g/mol) 330.74
ChEBI CHEBI:47426
SMILES C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
Synonym furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin
IUPAC Name 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O5S
2

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
5
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Niclosamide, 97+%, Thermo Scientific Chemicals

CAS: 50-65-7 Molecular Formula: C13H8Cl2N2O4 Molecular Weight (g/mol): 327.12 MDL Number: MFCD00057597 InChI Key: RJMUSRYZPJIFPJ-UHFFFAOYSA-N Synonym: niclosamide,5-chloro-n-2-chloro-4-nitrophenyl-2-hydroxybenzamide,niclocide,bayluscid,phenasal,tredemine,fenasal,yomesan,dichlosale,helmiantin PubChem CID: 4477 IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O

PubChem CID 4477
CAS 50-65-7
Molecular Weight (g/mol) 327.12
MDL Number MFCD00057597
SMILES OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym niclosamide,5-chloro-n-2-chloro-4-nitrophenyl-2-hydroxybenzamide,niclocide,bayluscid,phenasal,tredemine,fenasal,yomesan,dichlosale,helmiantin
IUPAC Name 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
InChI Key RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Molecular Formula C13H8Cl2N2O4
6

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
7

6-Methylsalicylic acid, 98%

CAS: 567-61-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD01194284 InChI Key: HCJMNOSIAGSZBM-UHFFFAOYSA-N Synonym: 6-methylsalicylic acid,6-hydroxy-o-toluic acid,2,6-cresotic acid,6-msa,benzoic acid, 2-hydroxy-6-methyl,6-ms,methylsalicylic acid,2-hydroxy-6-methylbenzoicacid,unii-l5352fe23y,2-carboxy-3-methylphenol PubChem CID: 11279 ChEBI: CHEBI:17637 IUPAC Name: 2-hydroxy-6-methylbenzoic acid SMILES: CC1=CC=CC(O)=C1C(O)=O

PubChem CID 11279
CAS 567-61-3
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:17637
MDL Number MFCD01194284
SMILES CC1=CC=CC(O)=C1C(O)=O
Synonym 6-methylsalicylic acid,6-hydroxy-o-toluic acid,2,6-cresotic acid,6-msa,benzoic acid, 2-hydroxy-6-methyl,6-ms,methylsalicylic acid,2-hydroxy-6-methylbenzoicacid,unii-l5352fe23y,2-carboxy-3-methylphenol
IUPAC Name 2-hydroxy-6-methylbenzoic acid
InChI Key HCJMNOSIAGSZBM-UHFFFAOYSA-N
Molecular Formula C8H8O3
8

4-Chloro-3-iodobenzoic acid, 97%, Thermo Scientific™

CAS: 42860-04-8 Molecular Formula: C7H4ClIO2 Molecular Weight (g/mol): 282.46 MDL Number: MFCD00079732 InChI Key: SDRURVZKYHGDAP-UHFFFAOYSA-N Synonym: 3-iodo-4-chlorobenzoic acid,4-chloro-3-iodo-benzoic acid,benzoic acid, 4-chloro-3-iodo,pubchem12500,4-chloro-3-iodo benzoicacid,benzoic acid,4-chloro-3-iodo,zerenex e/9071913,buttpark 100\01-50 PubChem CID: 2757616 IUPAC Name: 4-chloro-3-iodobenzoic acid SMILES: OC(=O)C1=CC(I)=C(Cl)C=C1

PubChem CID 2757616
CAS 42860-04-8
Molecular Weight (g/mol) 282.46
MDL Number MFCD00079732
SMILES OC(=O)C1=CC(I)=C(Cl)C=C1
Synonym 3-iodo-4-chlorobenzoic acid,4-chloro-3-iodo-benzoic acid,benzoic acid, 4-chloro-3-iodo,pubchem12500,4-chloro-3-iodo benzoicacid,benzoic acid,4-chloro-3-iodo,zerenex e/9071913,buttpark 100\01-50
IUPAC Name 4-chloro-3-iodobenzoic acid
InChI Key SDRURVZKYHGDAP-UHFFFAOYSA-N
Molecular Formula C7H4ClIO2
9

4-Bromo-2-methylbenzoic acid, 97%

CAS: 68837-59-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5 PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O

PubChem CID 99570
CAS 68837-59-2
Molecular Weight (g/mol) 215.05
SMILES CC1=C(C=CC(=C1)Br)C(=O)O
Synonym 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5
IUPAC Name 4-bromo-2-methylbenzoic acid
InChI Key RVCJOGNLYVNRDN-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
11

6-Methoxysalicylic acid, 98%, Thermo Scientific™

CAS: 3147-64-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 InChI Key: AAUQLHHARJUJEH-UHFFFAOYSA-N Synonym: 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole PubChem CID: 591524 IUPAC Name: 2-hydroxy-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)O

PubChem CID 591524
CAS 3147-64-6
Molecular Weight (g/mol) 168.15
SMILES COC1=CC=CC(=C1C(=O)O)O
Synonym 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole
IUPAC Name 2-hydroxy-6-methoxybenzoic acid
InChI Key AAUQLHHARJUJEH-UHFFFAOYSA-N
Molecular Formula C8H8O4
12
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2-Iodobenzoic acid, 98%

CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.01 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I

PubChem CID 6941
CAS 88-67-5
Molecular Weight (g/mol) 248.01
ChEBI CHEBI:287979
SMILES C1=CC=C(C(=C1)C(=O)O)I
Synonym o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure
IUPAC Name 2-iodobenzoic acid
InChI Key CJNZAXGUTKBIHP-UHFFFAOYSA-N
Molecular Formula C7H5IO2
13
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4-Bromobenzoic acid, 97%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: OC(=O)C1=CC=C(Br)C=C1

PubChem CID 11464
CAS 586-76-5
Molecular Weight (g/mol) 201.02
ChEBI CHEBI:60698
MDL Number MFCD00002529
SMILES OC(=O)C1=CC=C(Br)C=C1
Synonym p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid
IUPAC Name 4-bromobenzoic acid
InChI Key TUXYZHVUPGXXQG-UHFFFAOYSA-N
Molecular Formula C7H5BrO2
14

2-Fluoro-4-methoxycarbonylphenylboronic acid, 98%, Thermo Scientific™

CAS: 603122-84-5 Molecular Formula: C8H8BFO4 Molecular Weight (g/mol): 197.96 MDL Number: MFCD08436034 InChI Key: BKWRLCIYMAYFPA-UHFFFAOYSA-N Synonym: 2-fluoro-4-methoxycarbonyl phenylboronic acid,2-fluoro-4-methoxycarbonyl benzeneboronic acid,4-methoxycarbonyl-2-fluorophenylboronic acid,2-fluoro-4-methoxycarbonyl phenyl boronic acid,o-fluoro p-methoxy carbonyl phenyl boronic acid,pubchem17434,acmc-209mj4,2-fluoro-4-methoxycarbonyl phenylboronicacid,2-fluoro-4-methoxycarbonyl-phenylboronic acid PubChem CID: 24824345 IUPAC Name: (2-fluoro-4-methoxycarbonylphenyl)boronic acid SMILES: COC(=O)C1=CC(F)=C(C=C1)B(O)O

PubChem CID 24824345
CAS 603122-84-5
Molecular Weight (g/mol) 197.96
MDL Number MFCD08436034
SMILES COC(=O)C1=CC(F)=C(C=C1)B(O)O
Synonym 2-fluoro-4-methoxycarbonyl phenylboronic acid,2-fluoro-4-methoxycarbonyl benzeneboronic acid,4-methoxycarbonyl-2-fluorophenylboronic acid,2-fluoro-4-methoxycarbonyl phenyl boronic acid,o-fluoro p-methoxy carbonyl phenyl boronic acid,pubchem17434,acmc-209mj4,2-fluoro-4-methoxycarbonyl phenylboronicacid,2-fluoro-4-methoxycarbonyl-phenylboronic acid
IUPAC Name (2-fluoro-4-methoxycarbonylphenyl)boronic acid
InChI Key BKWRLCIYMAYFPA-UHFFFAOYSA-N
Molecular Formula C8H8BFO4
15

2-Bromobenzoic acid, 97%

CAS: 88-65-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002402 InChI Key: XRXMNWGCKISMOH-UHFFFAOYSA-N Synonym: o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 PubChem CID: 6940 IUPAC Name: 2-bromobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Br

PubChem CID 6940
CAS 88-65-3
Molecular Weight (g/mol) 201.02
MDL Number MFCD00002402
SMILES C1=CC=C(C(=C1)C(=O)O)Br
Synonym o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657
IUPAC Name 2-bromobenzoic acid
InChI Key XRXMNWGCKISMOH-UHFFFAOYSA-N
Molecular Formula C7H5BrO2