Benzoxazole,5-chloro-2-(methylthio)-

Modify Date: 2024-01-03 16:04:22

Benzoxazole,5-chloro-2-(methylthio)- structure	Common Name	Benzoxazole,5-chloro-2-(methylthio)-
	CAS Number	64037-25-8	Molecular Weight	199.65700
	Density	1.41g/cm3	Boiling Point	310.4ºC at 760mmHg
	Molecular Formula	C₈H₆ClNOS	Melting Point	N/A
	MSDS	N/A	Flash Point	141.5ºC

Name	5-chloro-2-methylsulfanyl-1,3-benzoxazole
Synonym	More Synonyms

Density	1.41g/cm3
Boiling Point	310.4ºC at 760mmHg
Molecular Formula	C₈H₆ClNOS
Molecular Weight	199.65700
Flash Point	141.5ºC
Exact Mass	198.98600
PSA	51.33000
LogP	3.20310
Index of Refraction	1.661

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM4810000

CHEMICAL NAME :: Benzoxazole, 5-chloro-2-methylthio-

CAS REGISTRY NUMBER :: 64037-25-8

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H6-Cl-N-O-S

MOLECULAR WEIGHT :: 199.66

WISWESSER LINE NOTATION :: T56 BN DOJ CS1 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),339,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 420 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),337,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 350 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),337,1964

HS Code	2934999090

5-Chloro-benzoo...

CAS#:22876-19-3

methyl iodide

CAS#:74-88-4

~84%

Benzoxazole,5-c...

CAS#:64037-25-8

Literature: Yamato, Masatoshi; Takeuchi, Yasuo; Hashigaki, Kuniko; Hirota, Takashi Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 2 p. 733 - 736

5-Chloro-benzoo...

CAS#:22876-19-3

Dimethyl sulfate

CAS#:77-78-1

Benzoxazole,5-c...

CAS#:64037-25-8

Literature: Sam,J.; Plampin,J.N. Journal of Pharmaceutical Sciences, 1964 , vol. 53, p. 538 - 544

Precursor 3
CAS#:22876-19-3 5-Chloro-benzoo... CAS#:74-88-4 methyl iodide CAS#:77-78-1 Dimethyl sulfate
DownStream 4
CAS#:78749-89-0 N-benzyl-5-chlo... CAS#:78750-03-5 Benzoxazole,5-c... CAS#:79558-94-4 5-chloro-N-phen... CAS#:94058-85-2 5-Chloro-2-Morp...