(2-Chloroethyl)phosphonic dichloride

HCID 69645CAS 690-12-0

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Basic information

Standard SMILES: O=P(Cl)(Cl)CCCl
InChIKey: LOUZURPQCYZSJH-UHFFFAOYSA-N
Molecular formula: C2H4Cl3OP
Average molar mass: 181.38 g/mol
Monoisotopic mass: 179.906535

Names & identifiers

Preferred name: (2-Chloroethyl)phosphonic dichloride
IUPAC: 1-chloro-2-dichlorophosphorylethane
English name: (2-chloroethyl)phosphonic dichloride
Molecular formula: C2H4Cl3OP
Molecular weight: 181.385321

Names & synonyms

690-12-0(2-Chloroethyl)phosphonic dichlorideAV96WW2LLKEINECS 211-715-4NSC-176276DTXSID002190392-chloroethanephosphonic dichlorideCHLOROETHYL DICHLOROPHOSPHATENSC 1762762-CHLOROETHANEPHOSPHONYL CHLORIDE.BETA.-CHLOROETHYLPHOSPHONYL DICHLORIDEP-(2-CHLOROETHYL)PHOSPHONIC DICHLORIDE

Show more names

1-chloro-2-dichlorophosphorylethane2-Chloroethyldichlorophosphine oxide1-chloro-2-dichlorophosphoryl-ethane2-Chloroethylphosphonic aciddichloride(2-Chloroethyl)dichlorophosphine oxide

(.BETA.-CHLOROETHYL)PHOSPHORYL DICHLORIDEPHOSPHONIC DICHLORIDE, P-(2-CHLOROETHYL)-RefChem:68589DTXCID70141530BETA-CHLOROETHYLPHOSPHONYL DICHLORIDE(BETA-CHLOROETHYL)PHOSPHORYL DICHLORIDE211-715-4(2-chloroethyl)phosphonoyl dichloride

Database identifiers

CAS: 690-12-0
PubChem CID: 69645
DTXSID: DTXSID00219039
UNII: AV96WW2LLK
EC Number: 211-715-4
Nikkaji: J206.003E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 86

Physicochemical properties

storage temp.: Store at Room Tem.
FDA UNII: 96 WW2LLK · AV96WW2LLK
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501