2-Chloro-1-methylimidazole - CAS 253453-91-7

Catalog:	BB018873
Product Name:	2-Chloro-1-methylimidazole
CAS:	253453-91-7
Synonyms:	2-chloro-1-methylimidazole; 2-chloro-1-methylimidazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1-methylimidazole
Description:	2-Chloro-1-methylimidazole (CAS# 253453-91-7) is a useful research chemical.
Molecular Weight:	116.55
Molecular Formula:	C4H5ClN2
Canonical SMILES:	CN1C=CN=C1Cl
InChI:	InChI=1S/C4H5ClN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChI Key:	VSCQFRRKWFQPOA-UHFFFAOYSA-N
Boiling Point:	214.8 °C at 760 mmHg
Density:	1.26 g/cm³
Appearance:	Brown liquid
MDL:	MFCD02179531
LogP:	1.07350

Publication Number	Title	Priority Date
WO-2020163541-A1	Methods and compositions for modulating splicing	20190205
CN-109675491-A	A method of microcapsule bubble is prepared based on myristic acid and imidazole derivative non-covalent complex	20181227
CN-109134380-A	Chloro aminooimidazole class compound and preparation method thereof, purposes and detection method	20180929
CN-108975353-A	A kind of multi-stage porous EU-1 molecular sieve and preparation method thereof	20180820
CN-110267959-A	Imidazo [1,5-A] pyrazines derivatives as PI3K Î´ inhibitor	20161207

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.0141259
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1