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CAS No.: | 175276-61-6 |
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Name: | 5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)FURAN-3-CARBONYL CHLORIDE |
Molecular Structure: | |
Formula: | C12H5Cl2F3O2 |
Molecular Weight: | 309.072 |
Synonyms: | 5-(4-Chlorophenyl)-2-trifluoromethylfuran-3-carbonylchloride;5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride;3-furancarbonyl chloride, 5-(4-chlorophenyl)-2-(trifluoromethyl)-; |
Density: | 1.476 g/cm3 |
Melting Point: | 135-137°C |
Boiling Point: | 378 °C at 760 mmHg |
Flash Point: | 182.4 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi; C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3261 |
PSA: | 30.21000 |
LogP: | 4.99780 |
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The 3-Furancarbonylchloride, 5-(4-chlorophenyl)-2-(trifluoromethyl)-, with the CAS registry number 175276-61-6, has the systematic name of 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride. It is a kind of white to light yellow crystal powder, and belongs to the product categories of Furan & Benzofuran. And the molecular formula of the chemical is C12H5Cl2F3O2.
The characteristics of 3-Furancarbonylchloride, 5-(4-chlorophenyl)-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.46; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 8311.49; (6)ACD/BCF (pH 7.4): 8311.49; (7)ACD/KOC (pH 5.5): 22248.29; (8)ACD/KOC (pH 7.4): 22248.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 63.26 cm3; (15)Molar Volume: 209.3 cm3; (16)Polarizability: 25.07×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.476 g/cm3; (19)Flash Point: 182.4 °C; (20)Enthalpy of Vaporization: 62.59 kJ/mol; (21)Boiling Point: 378 °C at 760 mmHg; (22)Vapour Pressure: 6.46E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c2oc(c1ccc(Cl)cc1)cc2C(Cl)=O
(2)InChI: InChI=1/C12H5Cl2F3O2/c13-7-3-1-6(2-4-7)9-5-8(11(14)18)10(19-9)12(15,16)17/h1-5H
(3)InChIKey: FOMUAOFXECJYNX-UHFFFAOYAR