3-Bromo-5-hydroxybenzoic acid - ≥98% , CAS No.140472-69-1

CAS: 140472-69-1 Cat. No.: W132469 Summenformel: C₇H₅BrO₃ Molekulargewicht: 217.02 EG-Nummer: 628-949-1 PubChem CID: 15735511

GRADE & PURITY ≥98%

Synonyms

BDBM50391815 | 3-BROMO-5-HYDROXYBENZOICACID | AKOS015834264 | J-007395 | 3-Bromo-5-hydroxybenzoic acid, 97% | AS-19422 | 5-hydroxy-3-bromo-benzoic acid | 3-bromo-5-hydroxy benzoic acid | AB29744 | AMY39761 | MFCD06797980 | B4740 | EN300-150534 | WGIBEMRBL

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

BDBM50391815 | 3-BROMO-5-HYDROXYBENZOICACID | AKOS015834264 | J-007395 | 3-Bromo-5-hydroxybenzoic acid, 97% | AS-19422 | 5-hydroxy-3-bromo-benzoic acid | 3-bromo-5-hydroxy benzoic acid | AB29744 | AMY39761 | MFCD06797980 | B4740 | EN300-150534 | WGIBEMRBL

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504767941

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767941

Kanonisches Lächeln

C1=C(C=C(C=C1O)Br)C(=O)O

IUPAC Name

3-bromo-5-hydroxybenzoic acid

InChIKey

WGIBEMRBLBGETQ-UHFFFAOYSA-N

INCHI

1S/C7H5BrO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)

Isomere SMILES

C1=C(C=C(C=C1O)Br)C(=O)O

WGK Deutschland

3

PubChem CID

15735511

Molekulargewicht

217.02

Reaxy-Rn

3241186

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids Benzoic acids M-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - 3-bromophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (nicht menschlich)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 237-241°C
• Molekulargewicht: 217.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.942 Da
• Monoisotopic Mass: 215.942 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1