2H-Azepine-2-thione,hexahydro-

Modify Date: 2024-01-14 10:26:44

2H-Azepine-2-thione,hexahydro- structure	Common Name	2H-Azepine-2-thione,hexahydro-
	CAS Number	7203-96-5	Molecular Weight	129.22300
	Density	1.05g/cm3	Boiling Point	171ºC / 10mmHg
	Molecular Formula	C₆H₁₁NS	Melting Point	107ºC
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS07	Signal Word	Warning

Name	azepane-2-thione
Synonym	More Synonyms

Density	1.05g/cm3
Boiling Point	171ºC / 10mmHg
Melting Point	107ºC
Molecular Formula	C₆H₁₁NS
Molecular Weight	129.22300
Exact Mass	129.06100
PSA	44.12000
LogP	1.80620
Index of Refraction	1.544

2H-Azepine-2-thione,hexahydro- MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CM3370000

CHEMICAL NAME :: 2-Azepinethione, hexahydro-, (Z)-

CAS REGISTRY NUMBER :: 7203-96-5

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H11-N-S

MOLECULAR WEIGHT :: 129.24

WISWESSER LINE NOTATION :: T7NYTJ BUS -Z

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 65 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,846,1971

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
RIDADR	UN 3335
RTECS	CM3370000

Cyclohexanone

CAS#:108-94-1

~76%

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S. Tetrahedron Letters, 2012 , vol. 53, # 52 p. 7113 - 7116

Caprolactam

CAS#:105-60-2

~97%

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: Bergman, Jan; Pettersson, Birgitta; Hasimbegovic, Vedran; Svensson, Per H. Journal of Organic Chemistry, 2011 , vol. 76, # 6 p. 1546 - 1553

Cyclohexanone oxime

CAS#:100-64-1

~71%

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: Pathak, Uma; Pandey, Lokesh Kumar; Mathur, Sweta; Suryanarayana Chemical Communications, 2009 , # 36 p. 5409 - 5411

Cyclohexanone oxime

CAS#:100-64-1

~39%

Caprolactam

CAS#:105-60-2

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: Li, Jiangsheng; Cheng, Chao; Zhang, Xinrui; Li, Zhiwei; Cai, Feifei; Xue, Yuan; Liu, Weidong Chinese Journal of Chemistry, 2012 , vol. 30, # 8 p. 1687 - 1689

6-AMINOHEXANENITRILE

CAS#:2432-74-8

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: Du Pont de Nemours and Co. Patent: US2201200 , 1938 ;

Caprolactam

CAS#:105-60-2

Thioacetic acid

CAS#:507-09-5

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: BASF Patent: DE943227 , 1952 ;

Pyridine

CAS#:110-86-1

Caprolactam

CAS#:105-60-2

chlorophenylsulfone

CAS#:98-09-9

2H-Azepine-2-th...

CAS#:7203-96-5

Literature: Witte; Huisgen Chemische Berichte, 1958 , vol. 91, p. 1129

Precursor 7
CAS#:108-94-1 Cyclohexanone CAS#:105-60-2 Caprolactam CAS#:100-64-1 Cyclohexanone oxime CAS#:2432-74-8 6-AMINOHEXANENITRILE
CAS#:507-09-5 Thioacetic acid CAS#:110-86-1 Pyridine CAS#:98-09-9 chlorophenylsulfone
DownStream 6
CAS#:19214-08-5 AZEPAN-2-ONE OXIME CAS#:105-60-2 Caprolactam CAS#:1888-91-1 1-Acetyl-2-azepanone CAS#:54-95-5 Pentetrazol
CAS#:111-49-9 Azepane CAS#:138207-31-5 1-trimethylsily...