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134099-20-0

Basic Information
CAS No.: 134099-20-0
Name: 2,3-Difluoro-4-(trifluoromethyl)benzaldehyde
Molecular Structure:
Molecular Structure of 134099-20-0 (2,3-Difluoro-4-(trifluoromethyl)benzaldehyde)
Formula: C8H3F5O
Molecular Weight: 210.103
Synonyms: 2,3-Difluoro-4-trifluoromethylbenzaldehyde;
Density: 1.468 g/cm3
Boiling Point: 196.3 °C at 760 mmHg
Flash Point: 72.7 °C
Risk Codes: 36/37/38
Safety: 26-36
PSA: 17.07000
LogP: 2.79610
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Specification

The 2,3-Difluoro-4-(trifluoromethyl)benzaldehyde with the cas number 134099-20-0 is also called benzaldehyde, 2,3-difluoro-4-(trifluoromethyl)-. Its molecular formula is C8H3F5O. The product's category is Benzaldehyde. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.88; (6)ACD/BCF (pH 7.4): 76.88; (7)ACD/KOC (pH 5.5): 778.88; (8)ACD/KOC (pH 7.4): 778.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 37.97 cm3; (15)Molar Volume: 143 cm3; (16)Polarizability: 15.05×10-24cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Enthalpy of Vaporization: 43.24 kJ/mol; (19)Vapour Pressure: 0.402 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing. 

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C=O)ccc(c1F)C(F)(F)F
(2)InChI: InChI=1/C8H3F5O/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-3H
(3)InChIKey: RQXOWNQOFWLPSV-UHFFFAOYAM