2-Chlorobenzoxazole - CAS 615-18-9

Catalog:	BB031157
Product Name:	2-Chlorobenzoxazole
CAS:	615-18-9
Synonyms:	2-chloro-1,3-benzoxazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-1,3-benzoxazole
Description:	2-Chlorobenzoxazole (CAS# 615-18-9) is a useful research chemical.
Molecular Weight:	153.57
Molecular Formula:	C7H4ClNO
Canonical SMILES:	C1=CC=C2C(=C1)N=C(O2)Cl
InChI:	InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key:	BBVQDWDBTWSGHQ-UHFFFAOYSA-N
Boiling Point:	201-202 °C
Purity:	98 %
Density:	1.345 g/cm³
Appearance:	Liquid
MDL:	MFCD00005766
LogP:	2.48120

Publication Number	Title	Priority Date
CN-113421980-A	Organic electroluminescent device and electronic apparatus including the same	20210602
CN-112961147-A	Nitrogen-containing compound and organic electroluminescent device thereof	20210209
CN-112952019-A	Organic electroluminescent device and display device comprising same	20210203
CN-112952020-A	Organic electroluminescent device and display device comprising same	20210203
CN-113024566-A	Nitrogen-containing compound, electronic element comprising same and electronic device	20210128

PMID	Publication Date	Title	Journal
20565075	20100722	Discovery of the dual orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia	Journal of medicinal chemistry

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Related Functional Groups

Benzoxazole/Benzothiazole

[16263-54-0]
3,6-Dichlorobenzo[d]isoxazole
[1215553-99-3]
4-(1,3-Benzothiazol-2-yl)-2-methylaniline hydrochloride
[139549-26-1]
2-(Chloromethyl)-7-methylbenzoxazole
[67982-15-4]
Benzo[d]isothiazol-4-ol
[944897-57-8]
6-Methylbenzoxazole-2-methanamine
[19654-14-9]
2-(3-Bromophenyl)benzothiazole

Oxazole/Thiazole

[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate

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:	2.8