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

CAS: 695-96-5 Cat. No.: B152691 Formula: C₆H₄BrClO Peso molecolare: 207.45 Numero EC: 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

Sinonimi

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-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504754420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754420
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=C(C=C1Cl)Br)O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air & Heat Sensitive
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 121-123 °C/10 mmHg
• Punto di fusione (°C): 30-33°C
• Peso molecolare: 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