CAS No.108097-02-5,2-METHYL-4,7,8-TRICHLOROQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108097-02-5
Name:	2-METHYL-4,7,8-TRICHLOROQUINOLINE

Formula:	C₁₀H₆Cl₃N
Molecular Weight:	246.52
Synonyms:	2-Methyl-4,7,8-trichloroquinoline;
Density:	1.459 g/cm³
Boiling Point:	336.3 °C at 760 mmHg
Flash Point:	187.5 °C
Hazard Symbols:	T
Risk Codes:	25-41
Safety:	26-39-45
PSA:	12.89000
LogP:	4.50340

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Specification

This chemical is called Quinoline,4,7,8-trichloro-2-methyl-, and its systematic name is 4,7,8-Trichloro-2-methylquinoline. With the molecular formula of C₁₀H₆Cl₃N, its molecular weight is 246.52. The CAS registry number of the chemical is 108097-02-5.

Other characteristics of Quinoline,4,7,8-trichloro-2-methyl- can be summarised as followings: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 562.45; (6)ACD/BCF (pH 7.4): 562.46; (7)ACD/KOC (pH 5.5): 3236.79; (8)ACD/KOC (pH 7.4): 3236.8; (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: 1.651; (14)Molar Refractivity: 61.69 cm³; (15)Molar Volume: 168.9 cm³; (16)Polarizability: 24.45×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.459 g/cm³; (19)Flash Point: 187.5 °C; (20)Enthalpy of Vaporization: 55.64 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000221 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(Cl)ccc2c(Cl)cc(C)nc12
2.InChI: InChI=1/C10H6Cl3N/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3
3.InChIKey: YWSNYNKOWMWXRR-UHFFFAOYAS
4.Std. InChI: InChI=1S/C10H6Cl3N/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3
5.Std. InChIKey: YWSNYNKOWMWXRR-UHFFFAOYSA-N