3,4-Dichlorobenzyl bromide - ≥98% , CAS No.18880-04-1

CAS: 18880-04-1 Cat. No.: D182371 Molecular Weight: 239.9 EC Number: 625-144-7

GRADE & PURITY ≥98%

Synonyms

3,4-Dichlorobenzyl bromide, 97% | Benzene, 2-chloro-4-ethynyl-1-fluoro- | Z56969314 | 1-bromomethyl-3,4-dichloro-benzene | benzene, 4-(bromomethyl)-1,2-dichloro- | alpha-Bromo-3,4-dichlorotoluene | 1,2-dichloro-4-(bromomethyl)benzene | 3,4-Dichlorobenzyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

3,4-Dichlorobenzyl bromide is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Specifications

Synonyms

3, 4-Dichlorobenzyl bromide, 97% | Benzene, 2-chloro-4-ethynyl-1-fluoro- | Z56969314 | 1-bromomethyl-3, 4-dichloro-benzene | benzene, 4-(bromomethyl)-1, 2-dichloro- | alpha-Bromo-3, 4-dichlorotoluene | 1, 2-dichloro-4-(bromomethyl)benzene | 3, 4-Dichlorobenzyl

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1CBr)Cl)Cl
• IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene
• InChIKey: XLWSBDFQAJXCQX-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
• Isomeric SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
• Molecular Weight: 239.9
• Reaxy-Rn: 742579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzyl bromides Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl halide - Benzyl bromide - 1,2-dichlorobenzene - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Solubility: Insoluble in water.
• Sensitivity: Light & Moisture Sensitive
• Refractive Index: 1.61
• Flash Point(°C): >110°C
• Boil Point(°C): 86°C/3mmHg
• Melt Point(°C): 19 °C
• Molecular Weight: 239.920 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 237.895 Da
• Monoisotopic Mass: 237.895 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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: 1