5-chloro-3-methyl-benzooxazol-2-one

Modify Date: 2025-10-25 14:53:54

5-chloro-3-methyl-benzooxazol-2-one structure	Common Name	5-chloro-3-methyl-benzooxazol-2-one
	CAS Number	5790-90-9	Molecular Weight	183.59200
	Density	1.422g/cm3	Boiling Point	294ºC at 760 mmHg
	Molecular Formula	C₈H₆ClNO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	131.6ºC

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

Density	1.422g/cm3
Boiling Point	294ºC at 760 mmHg
Molecular Formula	C₈H₆ClNO₂
Molecular Weight	183.59200
Flash Point	131.6ºC
Exact Mass	183.00900
PSA	35.14000
LogP	1.78490
Index of Refraction	1.599
InChIKey	VORWOQGVKPXSCM-UHFFFAOYSA-N
SMILES	Cn1c(=O)oc2ccc(Cl)cc21

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM5265000

CHEMICAL NAME :: 2-Benzoxazolinone, 5-chloro-3-methyl-

CAS REGISTRY NUMBER :: 5790-90-9

BEILSTEIN REFERENCE NO. :: 0140893

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H6-Cl-N-O2

MOLECULAR WEIGHT :: 183.60

WISWESSER LINE NOTATION :: T56 BNVOJ B1 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 :: >2 gm/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 :: 2 gm/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 :: 2 gm/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

Chlorzoxazone

CAS#:95-25-0

Dimethyl sulfate

CAS#:77-78-1

5-chloro-3-meth...

CAS#:5790-90-9

Literature: Sam et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1500,1502

2(3H)-Benzoxazo...

CAS#:64037-23-6

5-chloro-3-meth...

CAS#:5790-90-9

Literature: Sam et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1500,1502

Zoxazolamine

CAS#:61-80-3

5-chloro-3-meth...

CAS#:5790-90-9

Literature: Sam et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1500,1502

Methanol

CAS#:67-56-1

N/A

CAS#:117124-13-7

5-chloro-3-meth...

CAS#:5790-90-9

Literature: Sam et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1500,1502

Precursor 5
CAS#:95-25-0 Chlorzoxazone CAS#:77-78-1 Dimethyl sulfate CAS#:64037-23-6 2(3H)-Benzoxazo... CAS#:61-80-3 Zoxazolamine
CAS#:67-56-1 Methanol
DownStream 2
CAS#:81117-74-0 5-chloro-3-meth... CAS#:81117-78-4 6-amino-5-chlor...