2-Benzoxazolinone, 5-chloro-3-ethyl

Modify Date: 2025-09-20 18:15:56

2-Benzoxazolinone, 5-chloro-3-ethyl Structure
2-Benzoxazolinone, 5-chloro-3-ethyl structure
Common Name 2-Benzoxazolinone, 5-chloro-3-ethyl
CAS Number 5790-91-0 Molecular Weight 197.61800
Density 1.4g/cm3 Boiling Point 572ºC at 760 mmHg
Molecular Formula C9H8ClNO2 Melting Point N/A
MSDS N/A Flash Point 299.7ºC

 Names

Name 5-chloro-3-ethyl-1,3-benzoxazol-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4g/cm3
Boiling Point 572ºC at 760 mmHg
Molecular Formula C9H8ClNO2
Molecular Weight 197.61800
Flash Point 299.7ºC
Exact Mass 197.02400
PSA 35.14000
LogP 2.26780
Index of Refraction 1.672
InChIKey NGNSUTIRTDXXGA-UHFFFAOYSA-N
SMILES CCn1c(=O)oc2ccc(Cl)cc21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM5257500
CHEMICAL NAME :
2-Benzoxazolinone, 5-chloro-3-ethyl-
CAS REGISTRY NUMBER :
5790-91-0
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H8-Cl-N-O2
MOLECULAR WEIGHT :
197.63
WISWESSER LINE NOTATION :
T56 BNVOJ B2 HG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),341,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
414 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),341,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
505 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964

 Precursor & DownStream

Precursor  3

DownStream  0

 2-Benzoxazolinone, 5-chloro-3-ethylBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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 Synonyms

2-BENZOXAZOLINONE,5-CHLORO-3-ETHYL
3-Ethyl-5-chlorobenzoxazolone
5-Chloro-3-ethyl-2-benzoxazolinone
5-chloro-3-ethyl-3H-benzooxazol-2-one
WLN: T56 BNVOJ B2 HG
5-Chlor-2-oxo-3-aethyl-2.3-dihydro-benzoxazol
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