Dimethyl chlorophosphate - CAS 813-77-4

Catalog:	BB036648
Product Name:	Dimethyl chlorophosphate
CAS:	813-77-4
Synonyms:	[chloro(methoxy)phosphoryl]oxymethane

Technical Data

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Computed Properties

IUPAC Name:	[chloro(methoxy)phosphoryl]oxymethane
Description:	A phosphorylating agent.
Molecular Weight:	144.49
Molecular Formula:	C2H6ClO3P
Canonical SMILES:	COP(=O)(OC)Cl
InChI:	InChI=1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3
InChI Key:	NGFFLHMFSINFGB-UHFFFAOYSA-N
Boiling Point:	80 ℃25 mmHg (lit.)
Purity:	95 %
Density:	1.34 g/cm³
Appearance:	Clear liquid
MDL:	MFCD00117904
LogP:	1.62610

Publication Number	Title	Priority Date
CN-113429435-A	Silane coupling agent containing phosphorus and nitrogen and preparation method thereof	20210630
CN-113004321-A	Method for desymmetrizing 3-substituted cyclobutanone, cyclobutene compound and application thereof	20210311
CN-112876506-A	Halin stimulant hapten, artificial antigen and antibody and preparation method thereof	20210202
CN-112759611-A	Preparation method of battery electrolyte additive	20210127
CN-112871208-A	Application of imidazolium salt ionic liquid catalyst in preparation of battery electrolyte additive	20210127

PMID	Publication Date	Title	Journal
22780431	20120731	Interactions and binding energies of dimethyl methylphosphonate and dimethyl chlorophosphate with amorphous silica	Langmuir : the ACS journal of surfaces and colloids
19330098	20081201	Correlation of the rates of solvolysis of two arenesulfonyl chlorides and of trans-beta-styrenesulfonyl chloride - precursors in the development of new pharmaceuticals	International journal of molecular sciences
17580896	20070720	Kinetics and mechanism of the aminolysis of aryl phenyl chlorothiophosphates with anilines	The Journal of organic chemistry
17256879	20070220	High-resolution crystal structure of plant carboxylesterase AeCXE1, from Actinidia eriantha, and its complex with a high-affinity inhibitor paraoxon	Biochemistry
15254631	20040721	Rate and product studies with dimethyl phosphorochloridate and phosphorochloridothionate under solvolytic conditions	Organic & biomolecular chemistry

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Related Functional Groups

Phosphorus Compounds

[757-54-0]
Allylphosphonic acid dimethyl ester
[3366-72-1]
P-TOLYL-PHOSPHONIC ACID
[20345-61-3]
Ethyl 2-(diethoxyphosphoryl)prop-2-enoate
[1536463-75-8]
Ethyl 2-[bis(2-ethoxy-2-oxoethyl)amino]-4-diethoxyphosphorylbutanoate
[17067-92-4]
ethyl 4-(diethoxyphosphoryl)benzoate
[54965-29-6]
Ethyl 6-(diethylphosphono)hexanoate

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GHS Hazard Statement:	H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P262, P264, P270, P271, P280, P284, P301+P310, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.9743087
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.9743087
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1