Phosphoramidic dichloride, bis(2-chloroethyl)-

HCID 96271CAS 127-88-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=P(Cl)(Cl)N(CCCl)CCCl
InChIKey: IQPMYTNILJQKBS-UHFFFAOYSA-N
Molecular formula: C4H8Cl4NOP
Average molar mass: 258.9 g/mol
Monoisotopic mass: 256.90976123

Names & identifiers

Preferred name: Phosphoramidic dichloride, bis(2-chloroethyl)-
IUPAC: 2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine
English name: Bis(2-chloroethyl)aminophosphonic dichloride
Molecular formula: C4H8Cl4NOP
Molecular weight: 258.9

Names & synonyms

Bis(2-chloroethyl)phosphoramidic dichloridePhosphoramidic dichloride, bis(2-chloroethyl)-NSC 64119DTXSID40155366RefChem:862368DTXCID0077857683-015-0127-88-8Bis(2-chloroethyl)aminophosphoric dichloridebis(2-CHLOROETHYL)AMINOPHOSPHONIC DICHLORIDEMFCD00191796Phosphoramidic dichloride, N,N-bis(2-chloroethyl)-

Show more names

Bis (2-chloroethyl) aMino Dichlorinebis(2-chloroethyl)-dichlorophosphoryl-amineBIS-(2-CHLOROETHYL)AMINOPHOSPHONIC DICHLORIDEBis(2-Chloroethyl)phosphoramidic dihydrochloride

2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamineN,N-Bis(2-chloroethyl)phosphoramidic DichlorideNSC-64119C4H8Cl4NOPNSC64119Phosphoramidicdichloride, N,N-bis(2-chloroethyl)-N,N-Bis(2-chloroethyl)phosphamide DichlorideMD5GF9W6NX

Database identifiers

CAS: 127-88-8
PubChem CID: 96271
DTXSID: DTXSID40155366
UNII: MD5GF9W6NX
EC Number: 683-015-0
Nikkaji: J2.604.386G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 54 °C · 54 °C
Boiling point: 125 °C/0.7 · 125 °C/0.7 mmHg
Density: 1.509 · 1.509±0.06 g/cm3(Predicted)
storage temp.: Hygroscopic, Refrigerator, Under inert atmosphere
solubility: Acetonitrile (Slightly), Benzene (Slightly), Chloroform (Slightly), DMSO (Slightly)
form: Solid
pka: -9.97 · -9.97±0.70(Predicted)
color: White to Pale Beige
Symbol(GHS): 8 · GHS08,GHS05,GHS06
Signal word: Danger
Hazard statements: 317 · H317-H314-H311-H301-H331-H351
Precautionary statements: 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
RIDADR: 1759 · 1759
HS Code: 2929.9 · 2929.90.5090
HazardClass: 8 · 8
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

Safety data

ridadr: 1759
hs_code: 2929.90.5090
Signal word: Danger
Symbol(GHS): GHS08,GHS05,GHS06
hazard_class: 8
packing_group: II
Hazard statements: H317-H314-H311-H301-H331-H351
Precautionary statements: P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501