5-Chloro-benzooxazole-2-thiol
Suppliers
Names
[ CAS No. ]:
22876-19-3
[ 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
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
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)