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CAS No.: | 40889-91-6 |
---|---|
Name: | 2-CHLORO-5-(TRIFLUOROMETHYL)PHENOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4ClF3O |
Molecular Weight: | 196.556 |
Synonyms: | 4-Chloro-3-hydroxybenzotrifluoride; |
EINECS: | -0 |
Density: | 1.474 g/cm3 |
Boiling Point: | 171.3 °C at 760 mmHg |
Flash Point: | 46.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/37/38 |
Safety: | 16-26-36/37/39 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 20.23000 |
LogP: | 3.06440 |
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The CAS register number of 2-Chloro-5-(trifluoromethyl)phenol is 40889-91-6. It also can be called as Phenol,2-chloro-5-(trifluoromethyl)- and the IUPAC name about this chemical is 2-chloro-5-(trifluoromethyl)phenol. The molecular formula about this chemical is C7H4ClF3O and the molecular weight is 196.55. It belongs to the following product categories which include Phenol & Thiophenol & Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols and so on.
Physical properties about 2-Chloro-5-(trifluoromethyl)phenol are: (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 3.57; (3)ACD/LogD (pH 7.4): 3.32; (4)ACD/BCF (pH 5.5): 305.83; (5)ACD/BCF (pH 7.4): 170.48; (6)ACD/KOC (pH 5.5): 2086.69; (7)ACD/KOC (pH 7.4): 1163.18; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 38 cm3; (14)Molar Volume: 133.3 cm3; (15)Polarizability: 15.06x10-24cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Enthalpy of Vaporization: 42.44 kJ/mol; (18)Boiling Point: 171.3 °C at 760 mmHg; (19)Vapour Pressure: 1.06 mmHg at 25°C.
Uses of 2-Chloro-5-(trifluoromethyl)phenol: it can be used to produce 2-(2-chloro-5-trifluoromethyl-phenoxy)-5-nitro-thiophene with 2-bromo-5-nitro-thiophene at temperature of 70 ℃. This reaction will need reagent K2CO3 and solvent dimethylformamide with reaction time of 5 hours. The yield is about 63%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, please keep away from sources of ignition. When you are 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: Clc1ccc(cc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
(3)InChIKey: SUIZARUATMVYRT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
(5)Std. InChIKey: SUIZARUATMVYRT-UHFFFAOYSA-N