Basic information
- CAS
5001-31-0- Standard SMILES
O=P(Cl)(Cl)N(CCF)CCCl- InChIKey
LZXYXZYVUMCUJG-UHFFFAOYSA-N- Molecular formula
- C4H8Cl3FNOP
- Average molar mass
- 242.44 g/mol
- Monoisotopic mass
- 240.939312
Names & identifiers
- Preferred name
- Phosphoramidic dichloride, N-(2-chloroethyl)-N-(2-fluoroethyl)-
- IUPAC
- N-(2-chloroethyl)-N-dichlorophosphoryl-2-fluoroethanamine
- English name
- [2-Chloroethyl(2-fluoroethyl)amino]dichlorophosphine oxide
- Molecular formula
- C4H8Cl3FNOP
- Molecular weight
- 242.44
Names & synonyms
5001-31-0Phosphoramidic dichloride, N-(2-chloroethyl)-N-(2-fluoroethyl)-DTXSID50198183RefChem:1095311DTXCID80120674N-(2-Chloroethyl)-N-(2-fluoroethyl)phosphoramidic dichloridePhsophoramidic dichloride, (2-chloroethyl)(2-fluoroethyl)-NSC 80760WLN: OPGGN2G2FBRN 2249505NSC80760[2-Chloroethyl(2-fluoroethyl)amino]dichlorophosphine oxide
Show more names
Phosphoramidic dichloride, (2-chloroethyl)(2-fluoroethyl)- (7CI,8CI,9CI)
NSC-80760
Database identifiers
- CAS
5001-31-0- PubChem CID
- 78697
- DTXSID
DTXSID50198183- Nikkaji
- J50.369J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 97 · 97-103 °C(Press: 0.5 Torr)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- -10.12 · -10.12±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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