6-Chloro-2(3H)-benzoxazolone - CAS 19932-84-4

Name: 6-Chloro-2(3H)-benzoxazolone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015393
Product Name:	6-Chloro-2(3H)-benzoxazolone
CAS:	19932-84-4
Synonyms:	6-chloro-3H-1,3-benzoxazol-2-one; 6-chloro-3H-1,3-benzoxazol-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-3H-1,3-benzoxazol-2-one
Description:	6-Chloro-2(3H)-benzoxazolone (CAS# 19932-84-4) is used in preparation of substituted triazoles as potent ABA receptor pan-antagonists.
Molecular Weight:	169.57
Molecular Formula:	C7H4ClNO2
Canonical SMILES:	C1=CC2=C(C=C1Cl)OC(=O)N2
InChI:	InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:	MATCZHXABVLZIE-UHFFFAOYSA-N
Density:	1.486 g/cm³
Appearance:	Light beige crystalline powder
MDL:	MFCD00463914
LogP:	1.77450

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Related Functional Groups

Benzoxazole/Benzothiazole

[313402-37-8]C14H12N2S
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[70785-26-1]C14H12N2S
N-(4-methylphenyl)benzothiazol-2-amine
[1855907-41-3]C10H8F4N2OS
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[1215553-99-3]C14H13ClN2S
4-(1,3-Benzothiazol-2-yl)-2-methylaniline hydrochloride
[50710-33-3]C8H4Cl3NO
5,7-Dichloro-2-(chloromethyl)benzoxazole
[329222-92-6]C13H19NO2S
Propyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Publication Number	Title	Priority Date
CN-111646952-A	Optimization process of metamifop intermediate product	20200701
CN-111423392-A	Synthesis method of 2-mercapto-6-chlorobenzoxazole	20200615
CN-111423392-B	Synthesis method of 2-mercapto-6-chlorobenzoxazole	20200615
US-2020397000-A1	Unusually potent aba receptor pan-antagonists	20190620
KR-20200138086-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20190531

PMID	Publication Date	Title	Journal
27208123	20160715	Metabolic Pathway Involved in 6-Chloro-2-Benzoxazolinone Degradation by Pigmentiphaga sp. Strain DL-8 and Identification of the Novel Metal-Dependent Hydrolase CbaA	Applied and environmental microbiology
21121654	20101222	Enantioselective environmental behavior of the chiral herbicide fenoxaprop-ethyl and its chiral metabolite fenoxaprop in soil	Journal of agricultural and food chemistry
17685541	20070905	Evolution of toxicity upon hydrolysis of fenoxaprop-p-ethyl	Journal of agricultural and food chemistry

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.9930561
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.9930561
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8