2-(Bromomethyl)oxazole - CAS 1065073-35-9

Catalog:	BB001878
Product Name:	2-(Bromomethyl)oxazole
CAS:	1065073-35-9
Synonyms:	2-(bromomethyl)oxazole; 2-(bromomethyl)-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	2-(bromomethyl)-1,3-oxazole
Description:	2-(Bromomethyl)oxazole (CAS# 1065073-35-9) is used in the synthetic preparation of substituted oxopyridine derivatives as factor XIa and plasma kallikrein inhibitors useful in treating thrombotic or thromboembolic diseases.
Molecular Weight:	161.98
Molecular Formula:	C4H4BrNO
Canonical SMILES:	C1=COC(=N1)CBr
InChI:	InChI=1S/C4H4BrNO/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChI Key:	GXUWICFDIIONCH-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 ℃
MDL:	MFCD11101409
LogP:	1.56950

Publication Number	Title	Priority Date
CN-112707854-A	Pyrrole amide compound and application thereof	20191025
WO-2021078135-A1	Pyrrole amide compound and use thereof	20191025
CN-110746479-A	Compound and preparation method and application thereof	20191012
CN-110746479-B	Compound and preparation method and application thereof	20191012
CN-108947940-A	A kind of synthetic method of 2- oxetane derivative	20180620

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	59.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.94763
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.94763
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9