-
Name
methyl 4-chloro-2-(trifluoromethyl)quinoline-6-carboxylate
- EINECS
- CAS No. 958332-63-3
- Density 1.447 g/cm3
- Solubility
- Melting Point
- Formula C12H7ClF3NO2
- Boiling Point 314.5 °C at 760 mmHg
- Molecular Weight 289.641
- Flash Point 144 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methyl 4-chloro-2-(trifluoromethyl)quinoline-6-carboxylate;
- PSA 39.19000
- LogP 3.69360
6-Quinolinecarboxylicacid, 4-chloro-2-(trifluoromethyl)-, methyl ester Specification
The 6-Quinolinecarboxylicacid, 4-chloro-2-(trifluoromethyl)-, methyl ester has the CAS registry number 958332-63-3. It belongs to the product category of Classes of Chiral Chemicals. This chemical's molecular formula is C12H7ClF3NO2 and molecular weight is 289.64. What's more, its systematic name is Methyl 4-chloro-2-(trifluoromethyl)quinoline-6-carboxylate.
Physical properties of 6-Quinolinecarboxylicacid, 4-chloro-2-(trifluoromethyl)-, methyl ester are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 39.19 Å2; (9)Index of Refraction: 1.55; (10)Molar Refractivity: 63.83 cm3; (11)Molar Volume: 200.1 cm3; (12)Polarizability: 25.3×10-24 cm3; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 1.447 g/cm3; (15)Flash Point: 144 °C; (16)Enthalpy of Vaporization: 55.56 kJ/mol; (17)Boiling Point: 314.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000465 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2c(c1)c(cc(n2)C(F)(F)F)Cl
(2)InChI: InChI=1S/C12H7ClF3NO2/c1-19-11(18)6-2-3-9-7(4-6)8(13)5-10(17-9)12(14,15)16/h2-5H,1H3
(3)InChIKey: SZKUQMZISQHQIO-UHFFFAOYSA-N
Related Products
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- 6-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo-
- 6-Quinolinecarboxylicacid, 2-(trifluoromethyl)-
- 6-Quinolinecarboxylicacid, 2-chloro-
- 6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester
- 6-Quinolinecarboxylicacid, 4-amino-2-methyl-, ethyl ester
- 6-Quinolinecarboxylicacid, 4-chloro-2-(trifluoromethyl)-, methyl ester
- 6-Quinolinecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester
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