5-Chloro-benzooxazole-2-thiol

Names

[ Name ]:
5-Chloro-benzooxazole-2-thiol

[Synonym ]:
2-Mercapto-5-chlorobenzoxazole
5-chloro-1,3-benzoxazole-2-thiol
5-Chloro-2-thioxobenzoxazoline
MFCD00175241
5-chloro-3H-benzooxazole-2-thione
5-chloro-2-benzoxazolethiol
5-Chloro-1,3-benzoxazole-2(3H)-thione
5-Chloro-2-mercaptobenzoxazole
2-Benzoxazolethiol,5-chloro
5-Chloro-benzooxazole-2-thiol
2-Benzoxazolinethione,5-chloro
5-Chlorobenzo[d]oxazole-2(3H)-thione
2(3H)-Benzoxazolethione, 5-chloro-
5-Chlorobenzo[d]oxazole-2-thiol

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
278.7±42.0 °C at 760 mmHg

[ Melting Point ]:
280-285 °C(lit.)

[ Molecular Formula ]:
C₇H₄ClNOS

[ Molecular Weight ]:
185.631

[ Flash Point ]:
122.4±27.9 °C

[ Exact Mass ]:
184.970215

[ PSA ]:
64.83000

[ LogP ]:
3.06

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.723

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM4760000

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

CAS REGISTRY NUMBER :: 22876-19-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H4-Cl-N-O-S

MOLECULAR WEIGHT :: 185.63

WISWESSER LINE NOTATION :: T56 BN DOJ CSH 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 :: 1 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 120 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

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DM4760000

[ HS Code ]:
2934999090

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

A new 5-HT3 receptor ligand. II. Structure-activity analysis of 5-HT3 receptor agonist action in the gut Yamada M, et al.

Chem. Pharm. Bull. 46.3 , 445-451, (1998)

A mild and efficient one-pot synthesis of 2-aminated benzoxazoles and benzothiazoles Stewart GW, et al.

J. Org. Chem. 74.8 , 3229-3231, (2009)