4-(Chloromethyl)imidazole Hydrochloride - CAS 38585-61-4

Catalog:	BB023710
Product Name:	4-(Chloromethyl)imidazole Hydrochloride
CAS:	38585-61-4
Synonyms:	5-(chloromethyl)-1H-imidazole;hydrochloride; 5-(chloromethyl)-1H-imidazole;hydrochloride

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-(chloromethyl)-1H-imidazole;hydrochloride
Description:	4-(Chloromethyl)imidazole Hydrochloride (CAS# 38585-61-4) is a compound useful in organic synthesis.
Molecular Weight:	153.01
Molecular Formula:	C4H6Cl2N2
Canonical SMILES:	C1=C(NC=N1)CCl.Cl
InChI:	InChI=1S/C4H5ClN2.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7);1H
InChI Key:	FASMXPUFMXBVRL-UHFFFAOYSA-N
LogP:	1.95050

Publication Number	Title	Priority Date
WO-2020173935-A1	New isoindolinone substituted indoles and derivatives as ras inhibitors	20190226
CN-113474340-A	Novel isoindolinone substituted indoles and derivatives as RAS inhibitors	20190226
JP-2017057197-A	Composition and method for producing the same	20150917
JP-6469053-B2	Composition and method for producing the same	20150917
TW-201610173-A	Solder bump forming method and solder ball fixing solder paste	20140520

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Related Functional Groups

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.9908036
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.9908036
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0