2-Chlorobenzyl chloride - ≥98%(GC) , CAS No.611-19-8

CAS: 611-19-8 Cat. No.: C136424 Molecular Weight: 161.03 Beilstein Registry Number: 5297 EC Number: 210-258-8

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0611925 | a,2-dichlorotoluene | Benzene, 1-chloro-2-(chloromethyl)- | 2-Chlorobenzyl chloride, >=98% | AKOS000119336 | Q27279668 | 1-Chloro-2-chloromethylbenzene | o,.alpha.-Dichlorotoluene | NCGC00164081-01 | NCGC00164081-02 | UNII-H58DI83RMD | 2-chlo

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Chlorobenzyl chloride was used as a sensory irritant to evaluate the characteristic modifications of the normal breathing pattern of exposed mice

Specifications

Synonyms

FT-0611925 | a, 2-dichlorotoluene | Benzene, 1-chloro-2-(chloromethyl)- | 2-Chlorobenzyl chloride, >=98% | AKOS000119336 | Q27279668 | 1-Chloro-2-chloromethylbenzene | o, .alpha.-Dichlorotoluene | NCGC00164081-01 | NCGC00164081-02 | UNII-H58DI83RMD | 2-chlo

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752218
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752218
• Canonical Smiles: C1=CC=C(C(=C1)CCl)Cl
• IUPAC Name: 1-chloro-2-(chloromethyl)benzene
• InChIKey: BASMANVIUSSIIM-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
• Isomeric SMILES: C1=CC=C(C(=C1)CCl)Cl
• WGK Germany: 3
• RTECS: CZ0195000
• UN Number: 2235
• Packing Group: III
• Molecular Weight: 161.03
• Beilstein: 5297
• Reaxy-Rn: 471700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471700&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl chloride - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
• 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.Hygroscopic
• Refractive Index: 1.56
• Flash Point(°F): 179.6 °F
• Flash Point(°C): 117°C(lit.)
• Boil Point(°C): 97 °C/15 mmHg
• Molecular Weight: 161.030 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.985 Da
• Monoisotopic Mass: 159.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• 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

References

1. Bingchuan Zhang, Zhiqiang Sun, Min Lv, Hui Xu.  (2018)  Semisynthesis of Matrinic Acid/Alcohol/Ester Derivatives, Their Pesticidal Activities, and Investigation of Mechanisms of Action against Tetranychus cinnabarinus.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:30452245] [10.1021/acs.jafc.8b04965]

2. Shi Nie, Qingfeng Ding, Hui Hong, Ruixi Liu, Mingli Tian, Zongcai Tu, Chunming Tan, Lu Zhang.  (2025)  Exploring dynamic changes in nutritional profile, flavor dissipation, and antioxidant activity during the cooking process of marinade.  Current Research in Food Science,      [PMID:41158551] [10.1016/j.crfs.2025.101228]