Benzothiazole,2-bromo-5-methoxy- supplier

Name
Benzothiazole, 2-bromo-5-methoxy- (9CI)
EINECS
CAS No. 214337-39-0
Article Data2
CAS DataBase
Density 1.667 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNOS
Boiling Point 335.399 °C at 760 mmHg
Molecular Weight 244.10834
Flash Point 156.644 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-5-methoxybenzothiazole;
PSA 50.36000
LogP 3.06740

Benzothiazole,2-bromo-5-methoxy- Specification

The CAS registry number of Benzothiazole,2-bromo-5-methoxy- is 214337-39-0. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₈H₆BrNOS and molecular weight is 244.10834. What's more, its systematic name is called 2-Bromo-5-methoxy-1,3-benzothiazole.

Physical properties about Benzothiazole,2-bromo-5-methoxy- are: (1)ACD/LogP: 2.99; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 267; (6)ACD/BCF (pH 7.4): 267; (7)ACD/KOC (pH 5.5): 1896; (8)ACD/KOC (pH 7.4): 1897; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 54.94 cm³; (15)Molar Volume: 146.44 cm³; (16)Polarizability: 21.78×10^-24 cm³; (17)Surface Tension: 53.248 dyne/cm; (18)Density: 1.667 g/cm³; (19)Flash Point: 156.644 °C; (20)Enthalpy of Vaporization: 55.552 kJ/mol; (21)Boiling Point: 335.399 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc2nc(Br)sc2cc1
(2) InChI: InChI=1/C8H6BrNOS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
(3) InChIKey: XDYFAYVQPCTFOY-UHFFFAOYAA

Product Name

Benzothiazole, 2-bromo-5-methoxy- (9CI)

Benzothiazole,2-bromo-5-methoxy- Specification

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