5-Chlorobenzoxazole - CAS 17200-29-2

Catalog:	BB012784
Product Name:	5-Chlorobenzoxazole
CAS:	17200-29-2
Synonyms:	5-chloro-1,3-benzoxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-1,3-benzoxazole
Description:	5-Chlorobenzoxazole (CAS# 17200-29-2) is a useful research chemical.
Molecular Weight:	153.57
Molecular Formula:	C7H4ClNO
Canonical SMILES:	C1=CC2=C(C=C1Cl)N=CO2
InChI:	InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChI Key:	VWMQXAYLHOSRKA-UHFFFAOYSA-N
Boiling Point:	226.3 °C at 760 mmHg
Density:	1.377 g/cm³
MDL:	MFCD00216939
LogP:	2.48120

Publication Number	Title	Priority Date
CN-112812781-A	Bipiperazine benzoxazole-based liquid crystal compound and preparation method thereof	20210121
CN-111303187-A	Organic light-emitting material and organic electroluminescent device	20200325
CN-112625035-A	5-chlorobenzoxazole derivative or salt thereof acceptable as pesticide, composition and application thereof	20190924
WO-2021042911-A1	Magl inhibitor, preparation method therefor and use thereof	20190905
CN-112654614-A	Tertiary amine substituted coumarin compounds and their use as fluorescent markers	20190301

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Related Functional Groups

Halides

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Oxazole/Thiazole

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ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
[866769-73-5]
Ethyl 2-(cyclopropylamino)-4-methylthiazole-5-carboxylate
[22900-85-2]
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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.9981414
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.9981414
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2