Di-tert-butyl Chloromethyl Phosphate - CAS 229625-50-7

Catalog:	BB017842
Product Name:	Di-tert-butyl Chloromethyl Phosphate
CAS:	229625-50-7
Synonyms:	phosphoric acid ditert-butyl chloromethyl ester; ditert-butyl chloromethyl phosphate

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Computed Properties

IUPAC Name:	ditert-butyl chloromethyl phosphate
Description:	Di-tert-butyl Chloromethyl Phosphate (CAS# 229625-50-7) is a useful research chemical.
Molecular Weight:	258.68
Molecular Formula:	C9H20ClO4P
Canonical SMILES:	CC(C)(C)OP(=O)(OCCl)OC(C)(C)C
InChI:	InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3
InChI Key:	LNJAJHJFSKUCIR-UHFFFAOYSA-N
Appearance:	Colorless viscous liquid
MDL:	MFCD12165895
LogP:	3.93760

Publication Number	Title	Priority Date
CN-113224386-A	Cobalt acid lithium battery electrolyte additive, electrolyte and battery thereof	20210430
CN-113072585-A	Preparation of chiral aryl phosphonic acid cyclic diester and derivative thereof	20210402
CN-113161610-A	Non-aqueous electrolyte for lithium ion battery and lithium ion battery comprising same	20210331
CN-113161612-A	Non-aqueous electrolyte for lithium ion battery and lithium ion battery comprising same	20210331
CN-112111224-A	Anticorrosive coating for medium-voltage power distribution cabinet and preparation method thereof	20200924

PMID	Publication Date	Title	Journal
14552754	20031103	Phosphonooxymethyl prodrugs of the broad spectrum antifungal azole, ravuconazole: synthesis and biological properties	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Phosphorus Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[4671-77-6]
1,4-Butanediphosphonic acid
[84962-98-1]
3-(Trihydroxysilyl)propyl methylphosphonate, monosodium salt solution
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid
[60902-45-6]
n-Nonyl triphenylphosphonium bromide
[240432-42-2]
Ethyl [(diethoxyphosphoryl)methyl]hydroxymethylphosphinate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.0787738
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.0787738
Rotatable Bond Count:	6
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2