Dichloromethyl methyl ether - CAS 4885-02-3

Catalog:	BB026603
Product Name:	Dichloromethyl methyl ether
CAS:	4885-02-3
Synonyms:	dichloro(methoxy)methane

Technical Data

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Computed Properties

IUPAC Name:	dichloro(methoxy)methane
Description:	Dichloromethyl methyl ether (CAS# 4885-02-3) is a common chemical reagent used in the preparation of isothioureas focusing on the inhibition of human nitric oxide synthases. Also used in the preparation of fluorescent sensore for nerve agent mimics pharmaceutical studies.
Molecular Weight:	114.96
Molecular Formula:	C2H4Cl2O
Canonical SMILES:	COC(Cl)Cl
InChI:	InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3
InChI Key:	GRTGGSXWHGKRSB-UHFFFAOYSA-N
Boiling Point:	85 ℃
Purity:	> 97.0 % (GC)
Density:	1.271 g/cm³
Appearance:	Crystalline powder
LogP:	1.39400

Publication Number	Title	Priority Date
CN-113429270-A	Styrene derivative and preparation method thereof, modified organic silicon resin and preparation method and application thereof	20210624
CN-113214057-A	Method for synthesizing aromatic aldehyde by Lewis acid catalysis	20210514
CN-112575381-A	Pyramid helical crystal and preparation method and application thereof	20201202
CN-112575381-B	Pyramid helical crystal and preparation method and application thereof	20201202
WO-2021208963-A1	Bcl-2 inhibitor	20200415

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GHS Hazard Statement:	H225 (97.61%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	21.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.9639201
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.9639201
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5