5-Bromo-4-methylisoquinoline supplier

Name
5-Bromo-4-methylisoquinoline
EINECS 604-604-1
CAS No. 651310-24-6
Density 1.488 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrN
Boiling Point 331.462 °C at 760 mmHg
Molecular Weight 222.084
Flash Point 154.263 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms Isoquinoline, 5-bromo-4-methyl-;
PSA 12.89000
LogP 3.30570

5-Bromo-4-methylisoquinoline Specification

The 5-Bromo-4-methylisoquinoline, with the CAS registry number 651310-24-6, is also known as Isoquinoline, 5-bromo-4-methyl-. It belongs to the product categories of Building Blocks; Isoquinoline. This chemical's molecular formula is C₁₀H₈BrN and molecular weight is 222.08.

Physical properties of 5-Bromo-4-methylisoquinoline are: (1)ACD/LogP: 3.28; (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): 129; (6)ACD/BCF (pH 7.4): 156; (7)ACD/KOC (pH 5.5): 1072; (8)ACD/KOC (pH 7.4): 1290; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 54.702 cm³; (15)Molar Volume: 149.233 cm³; (16)Polarizability: 21.685×10^-24 cm³; (17)Surface Tension: 48.29 dyne/cm; (18)Density: 1.488 g/cm³; (19)Flash Point: 154.263 °C; (20)Enthalpy of Vaporization: 55.135 kJ/mol; (21)Boiling Point: 331.462 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=CN=C1)C=CC=C2Br
(2)InChI: InChI=1S/C10H8BrN/c1-7-5-12-6-8-3-2-4-9(11)10(7)8/h2-6H,1H3
(3)InChIKey: TYIXPGHNBIZJTL-UHFFFAOYSA-N

Product Name

5-Bromo-4-methylisoquinoline

5-Bromo-4-methylisoquinoline Specification

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