6-Bromo-1,3-benzothiazole supplier

Name
6-BROMO-1,3-BENZOTHIAZOLE
EINECS
CAS No. 53218-26-1
Article Data21
CAS DataBase
Density 1.748 g/cm³
Solubility
Melting Point 52℃
Formula C₇H₄BrNS
Boiling Point 291.493 °C at 760 mmHg
Molecular Weight 214.085
Flash Point 130.09 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 6-Bromobenzo[d]thiazole;6-Bromobenzothiazole;
PSA 41.13000
LogP 3.05880

6-Bromo-1,3-benzothiazole Specification

The Benzothiazole, 6-bromo-, with CAS registry number 53218-26-1, belongs to the following product category: Benzothiazole. It has the systematic name of 6-bromo-1,3-benzothiazole. Besides this, it is also called 6-Bromo-benzo[d]thiazole. And the chemical formula of this chemical is C₇H₄BrNS.

Physical properties of Benzothiazole, 6-bromo-: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.582; (4)ACD/LogD (pH 7.4): 2.582; (5)ACD/BCF (pH 5.5): 53.996; (6)ACD/BCF (pH 7.4): 53.997; (7)ACD/KOC (pH 5.5): 604.837; (8)ACD/KOC (pH 7.4): 604.84; (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: 1.718; (14)Molar Refractivity: 48.261 cm³; (15)Molar Volume: 122.437 cm³; (16)Polarizability: 19.132×10^-24cm³; (17)Surface Tension: 58.706 dyne/cm; (18)Density: 1.748 g/cm³; (19)Flash Point: 130.09 °C; (20)Enthalpy of Vaporization: 50.966 kJ/mol; (21)Boiling Point: 291.493 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)scn2
(2)InChI: InChI=1/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
(3)InChIKey: YJOUISWKEOXIMC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
(5)Std. InChIKey: YJOUISWKEOXIMC-UHFFFAOYSA-N

Product Name

6-BROMO-1,3-BENZOTHIAZOLE

6-Bromo-1,3-benzothiazole Specification

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