3-Chloropropionyl chloride - ≥96% , CAS No.625-36-5

CAS: 625-36-5 Cat. No.: C109466 Peso molecular: 126.97 Beilstein Registry Number: 635814 Número EC: 210-890-4

GRADE & PURITY ≥96%

Synonyms

EN300-20450 | J-512329 | FT-0615521 | (CHLOROMETHYL)ACETYL CHLORIDE | 3-cloropropionyl chloride | C3H4Cl2O | InChI=1/C3H4Cl2O/c4-2-1-3(5)6/h1-2H | NSC84180 | NSC-84180 | .OMEGA.-CHLOROPROPIONYL CHLORIDE | betachloropropionyl chloride | beta-Chloropropiony

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

EN300-20450 | J-512329 | FT-0615521 | (CHLOROMETHYL)ACETYL CHLORIDE | 3-cloropropionyl chloride | C3H4Cl2O | InChI=1/C3H4Cl2O/c4-2-1-3(5)6/h1-2H | NSC84180 | NSC-84180 | .OMEGA.-CHLOROPROPIONYL CHLORIDE | betachloropropionyl chloride | beta-Chloropropiony

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504754372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754372
• Sonrisas canónicas: C(CCl)C(=O)Cl
• IUPAC Name: 3-chloropropanoyl chloride
• InChIKey: INUNLMUAPJVRME-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
• Isómeros SMILES: C(CCl)C(=O)Cl
• WGK Alemania: 1
• Número ONU: 3390
• Peso molecular: 126.97
• Beilstein: 635814
• Reaxy-Rn: 635814
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635814&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Reacts violently with water.
• Sensibilidad: Light and moisture sensitive
• Índice de refracción: 1.456-1.458
• Punto de inflamación (°F): 138°F
• Punto de inflamación (°C): 59°C
• Punto de ebullición (°C): 143-145°C
• Punto de fusión (°C): -32°C
• Peso molecular: 126.970 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 52.800
• 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

Referencias

1. Lixia Lin, Huizhi Du.  (2018)  An anthraquinone compound and its protective effects against homocysteine-induced cytotoxicity and oxidative stress.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:29800895] [10.1016/j.saa.2018.05.058]

2. Qiulin Yuan, Dan Liu, Yong Deng, Ying Ling, Haoyu Tang.  (2014)  Facile Synthesis and Solid-State Properties of Liquid-Crystalline Polypeptides Bearing Biphenyl Mesogens and Alkyl Tails.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  216  (2): (196-204).  [PMID:] [10.1002/macp.201400362]