di-(2-Chloroethyl) 2-chloroethyl phosphonate - CAS 6294-34-4

Catalog:	BB043791
Product Name:	di-(2-Chloroethyl) 2-chloroethyl phosphonate
CAS:	6294-34-4
Synonyms:	di-(2-Chloroethyl) 2-chloroethyl phosphonate; O,O-di(2-Chloroethyl)-2-chloroethylphosphonate ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
Description:	di-(2-Chloroethyl) 2-chloroethyl phosphonate (CAS# 6294-34-4 ) is a useful research chemical.
Molecular Weight:	269.49
Molecular Formula:	C6H12Cl3O3P
Canonical SMILES:	C(CCl)OP(=O)(CCCl)OCCCl
InChI:	InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2
InChI Key:	XXIDKSWYSYEFAG-UHFFFAOYSA-N
Appearance:	Liquid

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Related Functional Groups

Halides

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Phosphorus Compounds

[1263034-19-0]
3-Methoxybenzylphosphonic acid
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[55552-24-4]
Ethyl (diphenylphosphino)acetate
[54965-29-6]
Ethyl 6-(diethylphosphono)hexanoate
[1498-42-6]
Ethyl dichlorophosphite
[1733-57-9]
ethyldiphenylphosphine oxide

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H361 (77.08%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H373 (77.08%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H412 (77.08%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.958964
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.958964
Rotatable Bond Count:	8
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2