2-Chloropropionyl chloride - Purifed, ≥97% , CAS No.7623-09-8

CAS: 7623-09-8 Cat. No.: C401784 Molecular Weight: 126.97 Beilstein Registry Number: 605452 EC Number: 231-540-7

GRADE & PURITY Purifed, ≥97%

Synonyms

2-Chloropropionyl chloride|7623-09-8|2-Chloropropanoyl chloride|Propanoyl chloride, 2-chloro-|alpha-Chloropropionyl chloride|2-Chloropropionic acid chloride|MFCD00000862|.alpha.-Chloropropionyl chloride|2-chloropropionylchloride|(+/-)-2-chloropropionyl ch

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Chloropropionyl chloride | 7623-09-8 | 2-Chloropropanoyl chloride | Propanoyl chloride, 2-chloro- | alpha-Chloropropionyl chloride | 2-Chloropropionic acid chloride | MFCD00000862 | .alpha.-Chloropropionyl chloride | 2-chloropropionylchloride | (+/-)-2-chloropropionyl ch

Specifications & Purity

Purifed, ≥97%

Storage

Room temperature

Shipped In

Normal

Grade

Purifed

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C(=O)Cl)Cl
• IUPAC Name: 2-chloropropanoyl chloride
• InChIKey: JEQDSBVHLKBEIZ-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3
• Isomeric SMILES: CC(C(=O)Cl)Cl
• WGK Germany: 3
• UN Number: 2920
• Packing Group: II
• Molecular Weight: 126.97
• Beilstein: 605452
• Reaxy-Rn: 1720270
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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: water sensitive
• Refractive Index: 1.44
• Flash Point(°F): 78.8 °F
• Flash Point(°C): 31°C
• Boil Point(°C): 109-111°C
• Melt Point(°C): -71°C
• Molecular Weight: 126.970 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.964 Da
• Monoisotopic Mass: 125.964 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 61.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Yuhan Wang, Chong Shen, Min Qiu, Minjing Shang, Yuanhai Su.  (2023)  Kinetic study in an automatic continuous-flow photochemical platform with machine learning.  AICHE JOURNAL,  69  (9): (e18102).  [PMID:] [10.1002/aic.18102]

2. Xiangyuan Zheng, Lan Luo, Jie Zhou, Xiaoling Ruan, Wenyuan Liu, Feng Zheng.  (2017)  Development and validation of a general derivatization HPLC method for the trace analysis of acyl chlorides in lipophilic drug substances.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:28391005] [10.1016/j.jpba.2017.03.050]

3. Yaqi Dong, Haisheng Zhang, Xin Liu, Xinzhao Luo, Yanqiu Wang, Qiang Zhang.  (2024)  Quaternization and degradation of block copolymer templates for UF and ED membranes via non-solvent induced and solvent evaporation induced phase separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.123156]