3-Bromo-2-chlorophenol - ≥98% , CAS No.863870-87-5

CAS: 863870-87-5 Cat. No.: B195395 Summenformel: C₆H₄BrClO Molekulargewicht: 207.45 EG-Nummer: 801-910-8

GRADE & PURITY ≥98%

Synonyms

AKOS005257424 | Phenol, 3-bromo-2-chloro- | SY027065 | bromochlorophenol | Phenol,3-bromo-2-chloro- | FT-0600096 | 3-Bromo-2-chlorophenol | BBL101150 | GS-4395 | MFCD08166321 | EN300-119394 | J-511852 | STL554946 | Phenol, bromochloro- | DTXSID20216242 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS005257424 | Phenol, 3-bromo-2-chloro- | SY027065 | bromochlorophenol | Phenol,3-bromo-2-chloro- | FT-0600096 | 3-Bromo-2-chlorophenol | BBL101150 | GS-4395 | MFCD08166321 | EN300-119394 | J-511852 | STL554946 | Phenol, bromochloro- | DTXSID20216242 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504764240
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764240
• Kanonisches Lächeln: C1=CC(=C(C(=C1)Br)Cl)O
• IUPAC Name: 3-bromo-2-chlorophenol
• InChIKey: DUKKNDLIWRYBCT-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• Isomere SMILES: C1=CC(=C(C(=C1)Br)Cl)O
• Alternative CAS-Nummer: 66024-94-0
• Molekulargewicht: 207.45
• Reaxy-Rn: 3237888
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Chlorophenols
          • Ebene6 O-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: O-chlorophenols
• Alternative Parents: M-bromophenols Chlorobenzenes Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-bromophenol - 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 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 - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring.
• 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: 207.450 g/mol
• XLogP3: 2.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 863870-87-5, the molecular formula is C6H4BrClO, and the molecular weight is 207.45 g/mol. InChIKey DUKKNDLIWRYBCT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.