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

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-phenyl-2,3-dihydro-1,3-benzothiazole
2-Aminothiophenol
benzoic acid
Benzyl alcohol
Benzo[d]thiazole
Phenylboronic acid
Benzaldehyde
N-(2-bromophenyl)benzamide
2-(benzylideneamino)benzenethiol
Chlorobenzene

DownStream

o-(2-Benzothiazolyl)phenol
2-(2,6-Difluoro-phenyl)-benzothiazole
Benzothiazole,2-(2-fluorophenyl)-
2,2'-Disulfanediyldianiline
2-Aminothiophenol
benzoic acid
Benzothiazole,6-chloro-2-phenyl-
3-ethoxy-4-methyl-2-phenylquinoline
1,5-Benzothiazepine,3-ethoxy-2-methyl-4-phenyl-

Customs

[ HS Code ]: 29342080

Articles

Novel amidino substituted 2-phenylbenzothiazoles: synthesis, antitumor evaluation in vitro and acute toxicity testing in vivo.

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...