2-Bromo-4-chlorophenol - ≥98%(GC) , CAS No.695-96-5

CAS: 695-96-5 Cat. No.: B152691 Formule: C₆H₄BrClO Poids moléculaire: 207.45 Numéro CE: 211-785-6

GRADE & PURITY ≥98%(GC)

Synonyms

B1522 | 2-Bromo-4-chlorophenol | 2-bromo-4-chloro-phenol | MFCD00002319 | SCHEMBL91153 | BCP22485 | NSC 59695 | 2-bromo-4-chloro phenol | F13393 | STR03609 | FT-0611443 | Phenol, 2-bromo-4-chloro- | InChI=1/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9 | 2-bromo-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

B1522 | 2-Bromo-4-chlorophenol | 2-bromo-4-chloro-phenol | MFCD00002319 | SCHEMBL91153 | BCP22485 | NSC 59695 | 2-bromo-4-chloro phenol | F13393 | STR03609 | FT-0611443 | Phenol, 2-bromo-4-chloro- | InChI=1/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9 | 2-bromo-

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504754420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754420
• Sourires canoniques: C1=CC(=C(C=C1Cl)Br)O
• IUPAC Name: 2-bromo-4-chlorophenol
• InChIKey: ZIYRDJLAJYTELF-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
• Isomères SMILES: C1=CC(=C(C=C1Cl)Br)O
• WGK Allemagne: 3
• Poids moléculaire: 207.45
• Reaxy-Rn: 2042871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: O-bromophenols Chlorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
• External Descriptors: a bromoaromatic compound

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

Propriétés chimiques et physiques

• Sensibilité: Air & Heat Sensitive
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 121-123 °C/10 mmHg
• Point de fusion (°C): 30-33°C
• Poids moléculaire: 207.450 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 205.913 Da
• Monoisotopic Mass: 205.913 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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