2-Chloro-4-hydroxybenzoic acid hydrate - ≥98% , CAS No.440123-65-9

CAS: 440123-65-9 Cat. No.: C184555 Formula: C₇H₅ClO₃.H₂O Peso molecolare: 190.6

GRADE & PURITY ≥98%

Synonyms

DTXSID80694148 | LVNLXWMDILTYQC-UHFFFAOYSA-N | SY002123 | SCHEMBL694945 | 2-Chloro-4-hydroxybenzoic acid--water (1/1) | A872599 | AM82918 | 2-Chloro-4-hydroxybenzoic acid hydrate 98+% | 2-Chloro-4-hydroxybenzoicAcidHydrate | 2-chloro-4-hydroxy benzoic aci

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID80694148 | LVNLXWMDILTYQC-UHFFFAOYSA-N | SY002123 | SCHEMBL694945 | 2-Chloro-4-hydroxybenzoic acid--water (1/1) | A872599 | AM82918 | 2-Chloro-4-hydroxybenzoic acid hydrate 98+% | 2-Chloro-4-hydroxybenzoicAcidHydrate | 2-chloro-4-hydroxy benzoic aci

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(C=C1O)Cl)C(=O)O.O

IUPAC Name

2-chloro-4-hydroxybenzoic acid;hydrate

InChIKey

LVNLXWMDILTYQC-UHFFFAOYSA-N

INCHI

1S/C7H5ClO3.H2O/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3,9H,(H,10,11);1H2

Isomeri SMILES

C1=CC(=C(C=C1O)Cl)C(=O)O.O

Peso molecolare

190.6

Reaxy-Rn

19868452

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19868452&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Halobenzoic acids 2-halobenzoic acids Benzoic acids M-chlorophenols Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 3-halophenol - 3-chlorophenol - Benzoyl - 1-carboxy-2-haloaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 190.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.003 Da
• Monoisotopic Mass: 190.003 Da
• Topological Polar Surface Area: 58.500 Ų
• Heavy Atom Count: 12
• 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: 2

XLogP3

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.