Quinoline, 8-(chloromethyl)- supplier

Name
8-Chloromethylquinoline
EINECS
CAS No. 94127-04-5
Article Data7
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClN
Boiling Point 310.579 °C at 760 mmHg
Molecular Weight 177.6302
Flash Point 170.617 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-(Chloromethyl)quinoline;
PSA 12.89000
LogP 2.97360

Quinoline, 8-(chloromethyl)- Specification

The Quinoline, 8-(chloromethyl)-, with the CAS registry number 94127-04-5, is also known as 8-Chloromethylquinoline. This chemical's molecular formula is C₁₀H₈ClN and molecular weight is 177.6302. What's more, its systematic name is 8-(Chloromethyl)quinoline.

Physical properties about Quinoline, 8-(chloromethyl)- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 35; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 439; (8)ACD/KOC (pH 7.4): 454; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 51.952 cm³; (15)Molar Volume: 144.468 cm³; (16)Polarizability: 20.595×10^-24 cm³; (17)Surface Tension: 48.124 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 170.617 °C; (20)Enthalpy of Vaporization: 52.943 kJ/mol; (21)Boiling Point: 310.579 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1cccc2cccnc12
(2) InChI: InChI=1/C10H8ClN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2
(3) InChIKey: BKDZLPUEWDNSGH-UHFFFAOYAT

Product Name

8-Chloromethylquinoline

Quinoline, 8-(chloromethyl)- Specification

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