2-Bromo-6-hydroxybenzoic acid - ≥98% , CAS No.38876-70-9

CAS: 38876-70-9 Cat. No.: B184231 Summenformel: C₇H₅BrO₃ Molekulargewicht: 217 EG-Nummer: 806-622-6

QUALITÄT & REINHEIT ≥98%

Synonyms

2-Bromo-6-hydroxybenzoic acid|38876-70-9|2-Bromo-6-hydroxybenzoicacid|Benzoic acid, 2-bromo-6-hydroxy-|SCHEMBL4147953|DTXSID70477745|LSIRNJUVADUUAN-UHFFFAOYSA-N|BCP30623|MFCD13193059|AKOS016006381|MB13463|PS-3956|FT-0712570|J-508465|6-Bromosalicylic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

2-Bromo-6-hydroxybenzoic acid | 38876-70-9 | 2-Bromo-6-hydroxybenzoicacid | Benzoic acid, 2-bromo-6-hydroxy- | SCHEMBL4147953 | DTXSID70477745 | LSIRNJUVADUUAN-UHFFFAOYSA-N | BCP30623 | MFCD13193059 | AKOS016006381 | MB13463 | PS-3956 | FT-0712570 | J-508465 | 6-Bromosalicylic acid

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C(=C1)Br)C(=O)O)O

IUPAC Name

2-bromo-6-hydroxybenzoic acid

InChIKey

LSIRNJUVADUUAN-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=C(C(=C1)Br)C(=O)O)O

Molekulargewicht

217

Reaxy-Rn

2641480

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641480&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Hydroxybenzoic acid derivatives
          • Ebene6 Salicylic acid and derivatives
            • Ebene7 Salicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylic acids
• Alternative Parents: 2-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds M-bromophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Aryl bromides Vinylogous halides Vinylogous acids Organic oxides Organobromides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 3-bromophenol - 3-halophenol - 1-carboxy-2-haloaromatic compound - Bromobenzene - Phenol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aryl halide - Aryl bromide - Vinylogous acid - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 217.020 g/mol
• XLogP3: 3.100
• 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