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6-Bromo-4-chloro-2-(trifluoromethyl)quinoline

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Name

6-Bromo-4-chloro-2-(trifluoromethyl)quinoline

EINECS N/A
CAS No. 1701-28-6 Density 1.74 g/cm3
PSA 12.89000 LogP 4.66950
Solubility N/A Melting Point 98-100 °C
Formula C10H4BrClF3N Boiling Point 291.8 °C at 760 mmHg
Molecular Weight 310.501 Flash Point 130.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1701-28-6 (6-BROMO-4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE) Hazard Symbols IrritantXi
Synonyms

Quinoline, 6-bromo-4-chloro-2-(trifluoromethyl)-;

 

6-Bromo-4-chloro-2-(trifluoromethyl)quinoline Specification

The 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline, with the CAS registry number 1701-28-6, is also called Quinoline, 6-bromo-4-chloro-2-(trifluoromethyl)-. And the molecular formula of the chemical is C10H4BrClF3N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1074.8; (6)ACD/BCF (pH 7.4): 1074.8; (7)ACD/KOC (pH 5.5): 5145.47; (8)ACD/KOC (pH 7.4): 5145.47; (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: 1.584; (14)Molar Refractivity: 59.75 cm3; (15)Molar Volume: 178.4 cm3; (16)Polarizability: 23.68×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.74 g/cm3; (19)Flash Point: 130.3 °C; (20)Enthalpy of Vaporization: 51 kJ/mol; (21)Boiling Point: 291.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00333 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1nc2ccc(Br)cc2c(Cl)c1
(2)InChI: InChI=1/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
(3)InChIKey: JKEQQFAWABXNFV-UHFFFAOYAM

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