3,5-Dichloro-1,2-benzoxazole - CAS 16263-53-9

Catalog:	BB011889
Product Name:	3,5-Dichloro-1,2-benzoxazole
CAS:	16263-53-9
Synonyms:	3,5-dichloro-1,2-benzoxazole; 3,5-dichloro-1,2-benzoxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,5-dichloro-1,2-benzoxazole
Description:	3,5-Dichloro-1,2-benzoxazole (CAS# 16263-53-9) is a useful research chemical.
Molecular Weight:	188.01
Molecular Formula:	C7H3Cl2NO
Canonical SMILES:	C1=CC2=C(C=C1Cl)C(=NO2)Cl
InChI:	InChI=1S/C7H3Cl2NO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H
InChI Key:	PJMDBZXSQGQSDQ-UHFFFAOYSA-N
LogP:	3.13460

Publication Number	Title	Priority Date
AU-2013283511-A1	3-O-heteroaryl-ingenol	20120626
CA-2875461-A1	3-o-heteroaryl-ingenol	20120626
DK-2864290-T3	3-O-heteroaryl INGENOL	20120626
EP-2864290-A2	3-o-heteroaryl-ingenol	20120626
EP-2864290-B1	3-o-heteroaryl-ingenol	20120626

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Related Functional Groups

Benzoxazole/Benzothiazole

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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:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.9591691
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.9591691
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3