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CAS No.: | 2003-15-8 |
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Name: | 3-(2-CHLORO-1,1,2-TRIFLUOROETHOXY)BENZALDEHYDE |
Molecular Structure: | |
Formula: | C9H6ClF3O2 |
Molecular Weight: | 238.594 |
Synonyms: | Benzaldehyde,m-(2-chloro-1,1,2-trifluoroethoxy)- (7CI,8CI);3-(2-chloro-1,1,2-trifluoroethoxy)benzaldehyde; |
Density: | 1.405 g/cm3 |
Boiling Point: | 265.645 °C at 760 mmHg |
Flash Point: | 109.49 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.30000 |
LogP: | 3.00510 |
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The CAS register number of Benzaldehyde,3-(2-chloro-1,1,2-trifluoroethoxy)- is 2003-15-8. The systematic name about this chemical is 3-(2-chloro-1,1,2-trifluoro-ethoxy)benzaldehyde. The molecular formula about this chemical is C9H6ClF3O2 and the molecular weight is 238.59. It belongs to the Benzaldehyde.
Physical properties about Benzaldehyde,3-(2-chloro-1,1,2-trifluoroethoxy)- are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.905; (3)ACD/LogD (pH 7.4): 2.905; (4)ACD/BCF (pH 5.5): 95.007; (5)ACD/BCF (pH 7.4): 95.007; (6)ACD/KOC (pH 5.5): 906.334; (7)ACD/KOC (pH 7.4): 906.334; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 49.582 cm3; (13)Molar Volume: 169.761 cm3; (14)Polarizability: 19.656x10-24cm3; (15)Surface Tension: 33.439 dyne/cm; (16)Enthalpy of Vaporization: 50.358 kJ/mol; (17)Boiling Point: 265.645 °C at 760 mmHg; (18)Vapour Pressure: 0.009 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 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: c1cc(cc(c1)OC(C(F)Cl)(F)F)C=O
(2)InChI: InChI=1/C9H6ClF3O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H
(3)InChIKey: JSHMTEVWQBWYGH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H6ClF3O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H
(5)Std. InChIKey: JSHMTEVWQBWYGH-UHFFFAOYSA-N