Benzothiazole,2-(3-bromophenyl)- supplier

Name
2-(3-BROMOPHENYL)BENZO[D]THIAZOLE
EINECS
CAS No. 19654-14-9
Article Data26
CAS DataBase
Density 1.546 g/cm³
Solubility
Melting Point 88 °C
Formula C₁₃H₈BrNS
Boiling Point 409.209 °C at 760 mmHg
Molecular Weight 290.183
Flash Point 201.283 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzothiazole,2-(m-bromophenyl)- (8CI);2-(3-Bromophenyl)benzothiazole;
PSA 41.13000
LogP 4.72580

Benzothiazole,2-(3-bromophenyl)- Specification

The Benzothiazole,2-(3-bromophenyl)-, with the CAS registry number 19654-14-9, is also known as Benzothiazole,2-(m-bromophenyl)- (8CI). This chemical's molecular formula is C₁₃H₈BrNS and molecular weight is 290.18. What's more, its systematic name is called 2-(3-Bromophenyl)-1,3-benzothiazole.

Physical properties about Benzothiazole,2-(3-bromophenyl)- are: (1) ACD/LogP: 4.98; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 5; (4) ACD/LogD (pH 7.4): 5; (5) ACD/BCF (pH 5.5): 5581; (6) ACD/BCF (pH 7.4): 5583; (7) ACD/KOC (pH 5.5): 16729; (8) ACD/KOC (pH 7.4): 16734; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 41.13 Å²; (13) Index of Refraction: 1.704; (14) Molar Refractivity: 72.853 cm³; (15) Molar Volume: 187.722 cm³; (16) Surface Tension: 55.453 dyne/cm; (17) Density: 1.546 g/cm³; (18) Flash Point: 201.283 °C; (19) Enthalpy of Vaporization: 63.564 kJ/mol; (20) Boiling Point: 409.209 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccc(c1)c2nc3ccccc3s2
(2) InChI: InChI=1/C13H8BrNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
(3) InChIKey: XCMGDNMMLIJSQA-UHFFFAOYAI

Product Name

2-(3-BROMOPHENYL)BENZO[D]THIAZOLE

Benzothiazole,2-(3-bromophenyl)- Specification

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