2-Bromopyrene supplier | CasNO.1714-27-8

Name
Benzothiazole, 2-ethyl-6-(methylthio)- (8CI,9CI)
EINECS
CAS No. 1714-27-8
Article Data10
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point 135.5 °C
Formula C₁₆H₉Br
Boiling Point 422.487 °C at 760 mmHg
Molecular Weight 281.151
Flash Point 209.379 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrene, 2-bromo-;
PSA 0.00000
LogP 5.34650

2-Bromopyrene Specification

The 2-Bromopyrene, with the CAS registry number 1714-27-8, is also known as Pyrene, 2-bromo-. This chemical's molecular formula is C₁₆H₉Br and molecular weight is 281.15. What's more, its IUPAC name is the same with its product name.

Physical properties about 2-Bromopyrene are: (1)ACD/LogP: 5.763; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 14117.77; (6)ACD/BCF (pH 7.4): 14117.77; (7)ACD/KOC (pH 5.5): 32507.99; (8)ACD/KOC (pH 7.4): 32507.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.858; (14)Molar Refractivity: 80.154 cm³; (15)Molar Volume: 178.163 cm³; (16)Polarizability: 31.776×10^-24cm³; (17)Surface Tension: 62.122 dyne/cm; (18)Density: 1.578 g/cm³; (19)Flash Point: 209.379 °C; (20)Enthalpy of Vaporization: 65.046 kJ/mol; (21)Boiling Point: 422.487 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc3cc2ccc1cccc4c1c2c(c3)cc4
(2) InChI: InChI=1S/C16H9Br/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H
(3) InChIKey: FQVOKXARZCJTIT-UHFFFAOYSA-N

Product Name

Benzothiazole, 2-ethyl-6-(methylthio)- (8CI,9CI)

2-Bromopyrene Specification

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