Diethyl chloromethylphosphonate - CAS 3167-63-3

Catalog:	BB043661
Product Name:	Diethyl chloromethylphosphonate
CAS:	3167-63-3
Synonyms:	Diethyl (chloromethyl)phosphonate; Diethyl chloromethanephosphonate; Phosphonic acid, (chloromethyl)-, diethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-[chloromethyl(ethoxy)phosphoryl]oxyethane
Description:	Diethyl chloromethylphosphonate (CAS# 3167-63-3 ) is a useful research chemical.
Molecular Weight:	186.57
Molecular Formula:	C5H12ClO3P
Canonical SMILES:	CCOP(=O)(CCl)OCC
InChI:	InChI=1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChI Key:	MZBIWKMCTWJLPT-UHFFFAOYSA-N

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Related Functional Groups

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[452-76-6]
2,4-Difluorotoluene

Phosphorus Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[4671-77-6]
1,4-Butanediphosphonic acid
[1263034-19-0]
3-Methoxybenzylphosphonic acid
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[2404-75-3]
Diethyl n-butanephosphonate
[3366-72-1]
P-TOLYL-PHOSPHONIC ACID

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0212589
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.0212589
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9