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Cas Database |
| Name |
Quinoline,4,6,8-trichloro-2-methyl- |
EINECS | N/A |
| CAS No. | 1204-14-4 | Density | 1.459 g/cm3 |
| PSA | 12.89000 | LogP | 4.50340 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H6Cl3N | Boiling Point | 324.2 °C at 760 mmHg |
| Molecular Weight | 246.523 | Flash Point | 179.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39-45 | Risk Codes | 25-41 |
| Molecular Structure |
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Hazard Symbols | T |
| Synonyms |
Quinaldine,4,6,8-trichloro- (7CI,8CI);2-Methyl-4,6,8-trichloroquinoline;NSC 137127; |
Article Data | 3 |
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
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