3-Bromoisoquinoline supplier | CasNO.34784-02-6

Name
3-BROMOISOQUINOLINE
EINECS
CAS No. 34784-02-6
Article Data8
CAS DataBase
Density 1.565 g/cm³
Solubility
Melting Point 63-64 °C
Formula C₉H₆BrN
Boiling Point 316.3 °C at 760 mmHg
Molecular Weight 208.057
Flash Point 145.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 3-bromoisoquinoline
PSA 12.89000
LogP 2.99730

3-Bromoisoquinoline Specification

The IUPAC name of this chemical is 3-Bromoisoquinoline. With the CAS registry number 34784-02-6, it is also named as isoquinoline, 3-bromo-. In addition, the molecular formula is C₉H₆BrN and the molecular weight is 208.05. It belongs to the classes of API Intermediates; Isoquinoline Derivertives. And it should be stored in a cool and dry place.

Physical properties about 3-Bromoisoquinoline are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.93; (5)ACD/BCF (pH 7.4): 73.95; (6)ACD/KOC (pH 5.5): 757.37; (7)ACD/KOC (pH 7.4): 757.53; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å²; (10)Index of Refraction: 1.673; (11)Molar Refractivity: 49.87 cm³; (12)Molar Volume: 132.9 cm³; (13)Polarizability: 19.77 ×10^-24cm³; (14)Surface Tension: 51.2 dyne/cm; (15)Density: 1.564 g/cm³; (16)Flash Point: 145.1 °C; (17)Enthalpy of Vaporization: 53.54 kJ/mol; (18)Boiling Point: 316.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000768 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ncc1ccccc1c2
(2)InChI: InChI=1/C9H6BrN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
(3)InChIKey: ZWJYXJDEDLXUHU-UHFFFAOYAQ

Product Name

3-BROMOISOQUINOLINE

3-Bromoisoquinoline Specification

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