2-Chlorophenethyl bromide - ≥97% , CAS No.16793-91-2

CAS: 16793-91-2 Cat. No.: C167804 Formula: C₈H₈BrCl Molecular Weight: 219.51 EC Number: 627-490-4

GRADE & PURITY ≥97%

Synonyms

AM83054 | 1-(2-bromo-ethyl)-2-chlorobenzene | 1-(2-Bromo-ethyl)-2-chloro-benzene | 1-(2-bromoethyl)-2-chlorobenzene | 1-(2-bromoethyl)-2-chloro-benzene | DTXSID90373659 | 1-(bromoethyl)-2-chlorobenzene | MFCD04117464 | SY004845 | FT-0647568 | 2-Chlorophen

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AM83054 | 1-(2-bromo-ethyl)-2-chlorobenzene | 1-(2-Bromo-ethyl)-2-chloro-benzene | 1-(2-bromoethyl)-2-chlorobenzene | 1-(2-bromoethyl)-2-chloro-benzene | DTXSID90373659 | 1-(bromoethyl)-2-chlorobenzene | MFCD04117464 | SY004845 | FT-0647568 | 2-Chlorophen

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193044
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193044
• Canonical Smiles: C1=CC=C(C(=C1)CCBr)Cl
• IUPAC Name: 1-(2-bromoethyl)-2-chlorobenzene
• InChIKey: AECBVDLERUETKG-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrCl/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
• Isomeric SMILES: C1=CC=C(C(=C1)CCBr)Cl
• WGK Germany: 2
• Molecular Weight: 219.51
• Reaxy-Rn: 2326444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.5707
• x_flash_point_drop_fahrenheit: >230 °F
• x_flash_point_drop_centigrade: >110 °C
• x_boil_point_char: 112°C/10mmHg
• Molecular Weight: 219.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 217.95 Da
• Monoisotopic Mass: 217.95 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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