Dimethylphosphinic chloride - CAS 1111-92-8

Catalog:	BB002735
Product Name:	Dimethylphosphinic chloride
CAS:	1111-92-8
Synonyms:	[chloro(methyl)phosphoryl]methane

Technical Data

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Computed Properties

IUPAC Name:	[chloro(methyl)phosphoryl]methane
Description:	Dimethylphosphinic chloride (CAS# 1111-92-8) is used in the preparation of phosphorus-containing mifepristone analogs as progesterone receptor antagonists.
Molecular Weight:	112.50
Molecular Formula:	C2H6ClOP
Canonical SMILES:	CP(=O)(C)Cl
InChI:	InChI=1S/C2H6ClOP/c1-5(2,3)4/h1-2H3
InChI Key:	CVNMBKFJYRAHPO-UHFFFAOYSA-N
Boiling Point:	204 °C at 760 mmHg
Melting Point:	65-71 °C (lit.)
Purity:	95 %
Density:	1.158 g/cm³
Appearance:	White to pink to tan powder, crystals, crystalline powder and/or chunks
MDL:	MFCD00002078
LogP:	1.76290

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Related Functional Groups

Phosphorus Compounds

[84962-98-1]
3-(Trihydroxysilyl)propyl methylphosphonate, monosodium salt solution
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[2404-75-3]
Diethyl n-butanephosphonate
[55552-24-4]
Ethyl (diphenylphosphino)acetate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	64
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.9844795
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	111.9844795
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2