4-(Chloromethyl)-5-methyloxazole - CAS 1240612-11-6

Catalog:	BB005807
Product Name:	4-(Chloromethyl)-5-methyloxazole
CAS:	1240612-11-6
Synonyms:	4-(chloromethyl)-5-methyloxazole; 4-(chloromethyl)-5-methyl-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	4-(chloromethyl)-5-methyl-1,3-oxazole
Description:	4-(Chloromethyl)-5-methyloxazole (CAS# 1240612-11-6) is a useful research chemical.
Molecular Weight:	131.56
Molecular Formula:	C5H6ClNO
Canonical SMILES:	CC1=C(N=CO1)CCl
InChI:	InChI=1S/C5H6ClNO/c1-4-5(2-6)7-3-8-4/h3H,2H2,1H3
InChI Key:	AIDJHZCWQZOCHV-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C

Publication Number	Title	Priority Date
US-10172856-B2	2,4-diaminopyrimidine derivatives as histamine H4 modulators	20170406
US-2018289706-A1	2,4-diaminopyrimidine derivatives as histamine h4 modulators	20170406
WO-2018187652-A1	2,4-diaminopyrimidine derivatives as histamine h4 modulators	20170406
KR-100869389-B1	Novel hexafluoroisopropanol derivatives	20040628
KR-20070022801-A	Novel hexafluoroisopropanol derivatives	20040628

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.0137915
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2