1-Chloro-7-methylisoquinoline supplier

Name
1-Chloro-7-methylisoquinoline
EINECS
CAS No. 24188-80-5
Article Data7
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClN
Boiling Point 284.844 °C at 760 mmHg
Molecular Weight 177.633
Flash Point 153.29 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-CHLORO-7-METHYLISOQUINOLINE
PSA 12.89000
LogP 3.19660

1-Chloro-7-methylisoquinoline Specification

The 1-Chloro-7-methylisoquinoline, with the CAS registry number of 24188-80-5, is also known as Isoquinoline, 1-chloro-7-methyl-. This chemical's molecular formula is C₁₀H₈ClN.

Physical properties about the 1-Chloro-7-methylisoquinoline are: (1)ACD/LogP: 3.30; (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): 131; (6)ACD/BCF (pH 7.4): 131; (7)ACD/KOC (pH 5.5): 1139; (8)ACD/KOC (pH 7.4): 1140; (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: 1.635; (14)Molar Refractivity: 51.907 cm³; (15)Molar Volume: 144.999 cm³; (16)Surface Tension: 46.562 dyne/cm; (17)Density: 1.225 g/cm³; (18)Flash Point: 153.29 °C; (19)Enthalpy of Vaporization: 50.283 kJ/mol; (20)Boiling Point: 284.844 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc2ccnc(Cl)c2c1
(2) InChI: InChI=1/C10H8ClN/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-6H,1H3
(3) InChIKey: FBQJSTRRHBTMMQ-UHFFFAOYAE

Product Name

1-Chloro-7-methylisoquinoline

1-Chloro-7-methylisoquinoline Specification

Related Products

Hot Products