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| CAS No.: | 387824-63-7 |
|---|---|
| Name: | 4-CHLORO-3-TRIFLUOROMETHYLPYRIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H3ClF3N |
| Molecular Weight: | 181.545 |
| Synonyms: | 4-Chloro-3-trifluoromethylpyridine;4-Chloro-5-trifluoromethylpyridine; |
| Density: | 1.416 g/cm3 |
| Melting Point: | 124-125 °C |
| Boiling Point: | 170.6 °C at 760 mmHg |
| Flash Point: | 57 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.75380 |
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- Total:17 Page 1 of 1 1
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Specification
The Pyridine, 4-chloro-3-(trifluoromethyl)-, with the CAS registry number 387824-63-7, is also known as 3-Chloro-4-(trifluoromethyl)pyridine. This chemical's molecular formula is C6H3ClF3N and molecular weight is 181.54. What's more, its systematic name is 4-Chloro-3-(trifluoromethyl)pyridine.
Physical properties about Pyridine, 4-chloro-3-(trifluoromethyl)- are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.92; (6)ACD/BCF (pH 7.4): 15.92; (7)ACD/KOC (pH 5.5): 252.33; (8)ACD/KOC (pH 7.4): 252.35; (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: 1.446; (14)Molar Refractivity: 34.21 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 13.56×10-24 cm3; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 1.416 g/cm3; (19)Flash Point: 57 °C; (20)Enthalpy of Vaporization: 39.03 kJ/mol; (21)Boiling Point: 170.6 °C at 760 mmHg; (22)Vapour Pressure: 1.94 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, 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: Clc1ccncc1C(F)(F)F
(2) InChI: InChI=1/C6H3ClF3N/c7-5-1-2-11-3-4(5)6(8,9)10/h1-3H
(3) InChIKey: UBUXDOBRSSOEOR-UHFFFAOYAP