6-Bromo-2-methylbenzothiazole supplier

Name
6-BROMO-2-METHYL-1,3-BENZOTHIAZOLE
EINECS
CAS No. 5304-21-2
Article Data18
CAS DataBase
Density 1.644 g/cm³
Solubility
Melting Point 82-84 °C
Formula C₈H₆BrNS
Boiling Point 299.1 °C at 760 mmHg
Molecular Weight 228.112
Flash Point 134.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Bromo-2-methyl-1,3-benzothiazole;
PSA 41.13000
LogP 3.36720

6-Bromo-2-methylbenzothiazole Specification

The 6-Bromo-2-methylbenzothiazole, with the CAS registry number 5304-21-2, is also known as Benzothiazole, 6-bromo-2-methyl-. This chemical's molecular formula is C₈H₆BrNS and molecular weight is 228.11. What's more, both its IUPAC name and systematic name are the same which is called 6-Bromo-2-methyl-1,3-benzothiazole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 6-Bromo-2-methylbenzothiazole are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 41.13 Å²; (7)Index of Refraction: 1.691; (8)Molar Refractivity: 53.08 cm³; (9)Molar Volume: 138.7 cm³; (10)Surface Tension: 54.3 dyne/cm; (11)Density: 1.644 g/cm³; (12)Flash Point: 134.7 °C; (13)Enthalpy of Vaporization: 51.75 kJ/mol; (14)Boiling Point: 299.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00217 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc2nc(sc2c1)C
(2) InChI: InChI=1S/C8H6BrNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
(3) InChIKey: NPBQNFVPWXRIGG-UHFFFAOYSA-N

Product Name

6-BROMO-2-METHYL-1,3-BENZOTHIAZOLE

6-Bromo-2-methylbenzothiazole Specification

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