Bis(2-chloroethyl)aminophosphoric Dichloride - ≥98% , CAS No.127-88-8

CAS: 127-88-8 Cat. No.: B347723 Molecular Weight: 258.9 EC Number: 683-015-0

GRADE & PURITY ≥98%

Synonyms

m-PEG-Tos, MW 2,000 | Bis(2-chloroethyl)aminophosphoric dichloride | SCHEMBL886844 | DTXSID40155366 | NSC64119 | NSC-64119 | MFCD00191796 | bis(2-CHLOROETHYL)AMINOPHOSPHONIC DICHLORIDE | NSC 64119 | AKOS004909553 | Phosphoramidicdichloride, N,N-bis(2-chlo

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Bis(2-chloroethyl)aminophosphoric Dichloride is an intermediate used in the synthesis of anti-tumor drugs used in chemotherapy

Specifications

Synonyms

m-PEG-Tos, MW 2, 000 | Bis(2-chloroethyl)aminophosphoric dichloride | SCHEMBL886844 | DTXSID40155366 | NSC64119 | NSC-64119 | MFCD00191796 | bis(2-CHLOROETHYL)AMINOPHOSPHONIC DICHLORIDE | NSC 64119 | AKOS004909553 | Phosphoramidicdichloride, N, N-bis(2-chlo

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(CCl)N(CCCl)P(=O)(Cl)Cl
• IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine
• InChIKey: IQPMYTNILJQKBS-UHFFFAOYSA-N
• INCHI: 1S/C4H8Cl4NOP/c5-1-3-9(4-2-6)11(7,8)10/h1-4H2
• Isomeric SMILES: C(CCl)N(CCCl)P(=O)(Cl)Cl
• Molecular Weight: 258.9
• Reaxy-Rn: 1072737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Organic phosphoramides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrogen mustard - Organic phosphoric acid amide - Organic phosphoric acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• 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: Soluble in Dichloromethane and Ether
• Sensitivity: Sensitive to air; sensitive to light; sensitive to humidity
• Melt Point(°C): 52-55° C
• Molecular Weight: 258.899 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 258.907 Da
• Monoisotopic Mass: 256.91 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• 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