2-Chlorobenzothiazole
Names
[ CAS No. ]:
615-20-3
[ Name ]:
2-Chlorobenzothiazole
[Synonym ]:
EINECS 210-415-0
Benzothiazole, 2-chloro-
2-Chlorobenzothiazole
MFCD00005776
2-Chloro-1,3-benzothiazole
2-chlorobenzo[d]thiazole
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
248.0±9.0 °C at 760 mmHg
[ Melting Point ]:
21-23 °C(lit.)
[ Molecular Formula ]:
C7H4ClNS
[ Molecular Weight ]:
169.631
[ Flash Point ]:
103.8±18.7 °C
[ Exact Mass ]:
168.975296
[ PSA ]:
41.13000
[ LogP ]:
3.41
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.696
[ Water Solubility ]:
insoluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DL3150000
- CHEMICAL NAME :
- Benzothiazole, 2-chloro-
- CAS REGISTRY NUMBER :
- 615-20-3
- BEILSTEIN REFERENCE NO. :
- 0116316
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H4-Cl-N-S
- MOLECULAR WEIGHT :
- 169.63
- WISWESSER LINE NOTATION :
- T56 BN DSJ CG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,24,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R22;R36/37/38
[ Safety Phrases ]:
S23-S24/25-S37/39-S26
[ RIDADR ]:
2810
[ WGK Germany ]:
3
[ RTECS ]:
DL3150000
[ Hazard Class ]:
2.2
[ HS Code ]:
29342080
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29342080
Articles
Eur. J. Med. Chem. 39(8) , 685-90, (2004)
(1,3-Benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives were synthesized via a procedure based on the Ullman reaction and were assessed for their in vitro antileishmanial and anti-HIV activities....
Synthesis of new thienopyrimidobenzothiazoles and thienopyrimidobenzoxazoles with analgesic and antiinflammatory properties. Russo F, et al.Eur. J. Med. Chem. 29(7) , 569-578, (1994)
Protecting group-free concise synthesis of (RS)/(S)-lubeluzole.
Org. Lett. 15(6) , 1158-61, (2013)
Three new, concise, and protecting group-free synthetic routes for (RS)- and (S)-lubeluzole are reported in higher (46-62%) overall yields compared to the reported procedures (6-35%). The key steps in...