1-Chloroethyl chloroformate - ≥98% , CAS No.50893-53-3

CAS: 50893-53-3 Cat. No.: C100655 Peso molecular: 142.97 Beilstein Registry Number: 1747601 Número EC: 256-834-2

GRADE & PURITY ≥98%

Synonyms

Q5103063 | EINECS 256-834-2 | alpha-chloroethyl chlorocarbonate | alphachloroethyl chloroformate | AKOS000121152 | alpha-chloroethylchloroformate | alpha-chloroethyl-chloroformate | 1-Chloro ethyl chloroformate | alpha chloroethylchoroformate | 1-Chloroet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Q5103063 | EINECS 256-834-2 | alpha-chloroethyl chlorocarbonate | alphachloroethyl chloroformate | AKOS000121152 | alpha-chloroethylchloroformate | alpha-chloroethyl-chloroformate | 1-Chloro ethyl chloroformate | alpha chloroethylchoroformate | 1-Chloroet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(OC(=O)Cl)Cl
• IUPAC Name: 1-chloroethyl carbonochloridate
• InChIKey: QOPVNWQGBQYBBP-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3
• Isómeros SMILES: CC(OC(=O)Cl)Cl
• WGK Alemania: 3
• Número ONU: 2742
• Peso molecular: 142.97
• Beilstein: 1747601
• Reaxy-Rn: 1747601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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: Miscible with most organic solvents.
• Sensibilidad: heat sensitive & Moisture sensitive
• Índice de refracción: 1.422-1.424
• Punto de inflamación (°F): 104 °F
• Punto de inflamación (°C): 40℃
• Punto de ebullición (°C): 118-119°C
• Peso molecular: 142.970 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 141.959 Da
• Monoisotopic Mass: 141.959 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 73.300
• 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

Referencias

1. Jing Wang, Yixian Liu, Rong Rong, Xiaobo Xia.  (2025)  Bilirubin-polymer nanocarriers enable targeted farrerol delivery for glaucoma neuroprotection via Nrf2-mediated ferroptosis/apoptosis inhibition.  Materials Today Bio,      [PMID:41050099] [10.1016/j.mtbio.2025.102304]