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49713-56-6

Basic Information
CAS No.: 49713-56-6
Name: 4-Chloro-6-(trifluoromethyl)quinoline
Article Data: 8
Molecular Structure:
Molecular Structure of 49713-56-6 (4-Chloro-6-(trifluoromethyl)quinoline)
Formula: C10H5ClF3N
Molecular Weight: 231.605
Synonyms: 4-Chloro-6-(trifluoromethyl)quinoline
Density: 1.428 g/cm3
Melting Point: 48 °C
Boiling Point: 265.51 °C at 760 mmHg
Flash Point: 114.377 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 12.89000
LogP: 3.90700
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    Molecular Formula C10H5ClF3N Molecular Weight 231.60 CAS Registry Number 49713-56-6 Name4-Chloro-6-(trifluoromethyl)quinol…

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Specification

The 4-Chloro-6-(trifluoromethyl)quinoline is an organic compound with the formula C10H5ClF3N. The IUPAC name of this chemical is 4-chloro-6-(trifluoromethyl)quinoline. With the CAS registry number 49713-56-6, it is also named as Quinoline, 4-chloro-6-(trifluoromethyl)-. The product's category is Quinoline & Isoquinoline. Besides, it should be stored in a cool, dry place.

Physical properties about 4-Chloro-6-(trifluoromethyl)quinoline are: (1)ACD/LogP: 4.42; (2)ACD/LogD (pH 5.5): 4.424; (3)ACD/LogD (pH 7.4): 4.424; (4)ACD/BCF (pH 5.5): 1354.992; (5)ACD/BCF (pH 7.4): 1356.184; (6)ACD/KOC (pH 5.5): 6071.961; (7)ACD/KOC (pH 7.4): 6077.304; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.555; (11)Molar Refractivity: 52.062 cm3; (12)Molar Volume: 162.234 cm3; (13)Polarizability: 20.639×10-24cm3; (14)Surface Tension: 36.342 dyne/cm; (15)Density: 1.428 g/cm3; (16)Flash Point: 114.377 °C; (17)Enthalpy of Vaporization: 48.314 kJ/mol; (18)Boiling Point: 265.51 °C at 760 mmHg; (19)Vapour Pressure: 0.015 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C(F)(F)F)c(ccn2)Cl
(2)InChI: InChI=1/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H
(3)InChIKey: FTNQANJWBFKPIP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H
(5)Std. InChIKey: FTNQANJWBFKPIP-UHFFFAOYSA-N