Quinoline,4,6,8-trichloro-2-methyl- supplier

Name
2-METHYL-4,6,8-TRICHLOROQUINOLINE
EINECS
CAS No. 1204-14-4
Article Data3
CAS DataBase
Density 1.459 g/cm³
Solubility
Melting Point
Formula C₁₀H₆Cl₃N
Boiling Point 324.2 °C at 760 mmHg
Molecular Weight 246.523
Flash Point 179.7 °C
Transport Information
Appearance
Safety 26-39-45
Risk Codes 25-41
Molecular Structure
Hazard Symbols T
Synonyms Quinaldine,4,6,8-trichloro- (7CI,8CI);2-Methyl-4,6,8-trichloroquinoline;NSC 137127;
PSA 12.89000
LogP 4.50340

Quinoline,4,6,8-trichloro-2-methyl- Specification

The Quinoline,4,6,8-trichloro-2-methyl-, with its CAS registry number 1204-14-4, has the systematic name of 4,6,8-trichloro-2-methylquinoline. With the molecular foumula of C₁₀H₆Cl₃N, its formula weight is 246.52.

The characteristics of Quinoline,4,6,8-trichloro-2-methyl- are as follows: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.89 Å²; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 61.69 cm³; (9)Molar Volume: 168.9 cm³; (10)Polarizability: 24.45×10^-24cm³; (11)Surface Tension: 50.6 dyne/cm; (12)Density: 1.459 g/cm³; (13)Flash Point: 179.7 °C; (14)Enthalpy of Vaporization: 54.37 kJ/mol; (15)Boiling Point: 324.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000471 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Clc1cc(Cl)cc2c(Cl)cc(nc12)C
(2)InChI:InChI=1/C10H6Cl3N/c1-5-2-8(12)7-3-6(11)4-9(13)10(7)14-5/h2-4H,1H3
(3)InChIKey:MLCCGRNOVHTMML-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C10H6Cl3N/c1-5-2-8(12)7-3-6(11)4-9(13)10(7)14-5/h2-4H,1H3
(5)Std. InChIKey:MLCCGRNOVHTMML-UHFFFAOYSA-N

Product Name

2-METHYL-4,6,8-TRICHLOROQUINOLINE

Quinoline,4,6,8-trichloro-2-methyl- Specification

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