2-Phenylbenzothiazole
Names
[ CAS No. ]:
883-93-2
[ Name ]:
2-Phenylbenzothiazole
[Synonym ]:
2-Phenylbenzothiazole
Benzothiazole, 2-phenyl-
MFCD00005777
EINECS 212-935-3
2-Phenyl-1,3-benzothiazole
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
356.9±25.0 °C at 760 mmHg
[ Melting Point ]:
111-113 °C(lit.)
[ Molecular Formula ]:
C13H9NS
[ Molecular Weight ]:
211.282
[ Flash Point ]:
174.4±12.1 °C
[ Exact Mass ]:
211.045563
[ PSA ]:
41.13000
[ LogP ]:
4.26
[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C
[ Index of Refraction ]:
1.685
[ Water Solubility ]:
INSOLUBLE
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DL5990000
- CHEMICAL NAME :
- Benzothiazole, 2-phenyl-
- CAS REGISTRY NUMBER :
- 883-93-2
- BEILSTEIN REFERENCE NO. :
- 0141340
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H9-N-S
- MOLECULAR WEIGHT :
- 211.29
- WISWESSER LINE NOTATION :
- T56 BN DSJ CR
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 :
- 1800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 16,930,1973
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H319
[ Precautionary Statements ]:
P305 + P351 + P338
[ Hazard Codes ]:
Xi
[ Risk Phrases ]:
36
[ Safety Phrases ]:
S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
DL5990000
[ HS Code ]:
29342080
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29342080
Articles
Bioorg. Med. Chem. 18(3) , 1038-44, (2010)
The efficient synthesis of new bis-substituted nitro-amidino, amino-amidino (10a, 10b-13a, 13b) and previously prepared diamidino 2-phenyl-benzothiazoles (9a, 9b) is described. The compounds 11a and 1...
Design, synthesis and structure-activity relationship of rhenium 2-arylbenzothiazoles as β-amyloid plaque binding agents.Bioorg. Med. Chem. Lett. 23(6) , 1720-6, (2013)
To continue our efforts toward the development of (99m)Tc PiB analogs, we have synthesized 24 neutral and lipophilic Re (as a surrogate of (99m)Tc) 2-arylbenzothiazoles, and explored their structure-a...
Iridium(III) complexes with enhanced film amorphism as guests for efficient orange solution-processed single-layer PhOLEDs with low efficiency roll-off.Dalton Trans. 42(29) , 10559-71, (2013)
By introducing a phenyl substituent into the meta-site of the phenyl segment of the 2-phenylbenzothiazole ligand, two novel orange iridium(III) complexes, namely, (3Phbt)2Ir(acac) and (3OMePhbt)2Ir(ac...