5-Chloro-1-methylimidazole - CAS 872-49-1

Catalog:	BB038356
Product Name:	5-Chloro-1-methylimidazole
CAS:	872-49-1
Synonyms:	5-chloro-1-methylimidazole; 5-chloro-1-methylimidazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1-methylimidazole
Description:	A useful synthetic intermediate.
Molecular Weight:	116.55
Molecular Formula:	C4H5ClN2
Canonical SMILES:	CN1C=NC=C1Cl
InChI:	InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChI Key:	NYDGOZPYEABERA-UHFFFAOYSA-N
Boiling Point:	82-85 °C (11 mmHg)
Density:	1.25 g/cm³
MDL:	MFCD00014505
LogP:	1.07350

Publication Number	Title	Priority Date
CN-110975748-A	Method for preparing vesicle aggregates based on compounding of imidazole compounds and capric acid	20191227
CN-112979655-A	Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof	20191216
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
CN-112892426-A	Method for preparing vesicle aggregates based on compounding of imidazole compounds and capric acid	20191203
CN-112599482-A	Semiconductor structure	20190917

PMID	Publication Date	Title	Journal
15360261	20040920	Mechanistic elucidation of the substitution behavior of alkyl cobaloximes in water and methanol as solvents	Inorganic chemistry

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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:	1