5-Bromo-2-chlorobenzothiazole supplier

Name
5-Bromo-2-chlorobenzothiazole
EINECS
CAS No. 824403-26-1
Article Data2
CAS DataBase
Density 1.849 g/cm³
Solubility
Melting Point
Formula C₇H₃BrClNS
Boiling Point 309.2 °C at 760 mmHg
Molecular Weight 248.53
Flash Point 140.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzothiazole, 5-bromo-2-chloro-;5-Bromo-2-chloro-1,3-benzothiazole;
PSA 41.13000
LogP 3.71220

5-Bromo-2-chlorobenzothiazole Specification

The 5-Bromo-2-chlorobenzothiazole, with the CAS registry number 824403-26-1, has the systematic name of 5-bromo-2-chloro-1,3-benzothiazole. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₇H₃BrClNS.

The characteristics of 5-Bromo-2-chlorobenzothiazole are as followings: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 893.37; (6)ACD/BCF (pH 7.4): 893.37; (7)ACD/KOC (pH 5.5): 4507.63; (8)ACD/KOC (pH 7.4): 4507.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 53.15 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 21.07×10^-24cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.849 g/cm³; (19)Flash Point: 140.8 °C; (20)Enthalpy of Vaporization: 52.8 kJ/mol; (21)Boiling Point: 309.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00118 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc2nc(Cl)sc2cc1
(2)InChI: InChI=1/C7H3BrClNS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
(3)InChIKey: CQHUAYKIQCBOKY-UHFFFAOYAF

Product Name

5-Bromo-2-chlorobenzothiazole

5-Bromo-2-chlorobenzothiazole Specification

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