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CAS No.: | 127675-46-1 |
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Name: | 3-CHLORO-2,4-DIFLUOROBENZALDEHYDE |
Molecular Structure: | |
Formula: | C7H3ClF2O |
Molecular Weight: | 176.55 |
Synonyms: | 3-CHLORO-2,4-DIFLUOROBENZALDEHYDE;3-Chloro-2,4-difluorobenzaldehyde 97%;3-Chloro-2,4-difluorobenzaldehyde97%;Benzaldehyde, 3-chloro-2,4-difluoro- |
Density: | 1.453 g/cm3 |
Boiling Point: | 217.935 °C at 760 mmHg |
Flash Point: | 85.605 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 2.43070 |
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The Benzaldehyde,3-chloro-2,4-difluoro-, with CAS registry number 127675-46-1, belongs to the following product category: Benzaldehyde. It has the systematic name of 3-chloro-2,4-difluorobenzaldehyde. And the chemical formula of this chemical is C7H3ClF2O.
Physical properties of Benzaldehyde,3-chloro-2,4-difluoro-: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 37.88 cm3; (9)Molar Volume: 121.4 cm3; (10)Polarizability: 15.02×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 1.453 g/cm3; (13)Flash Point: 85.6 °C; (14)Enthalpy of Vaporization: 45.43 kJ/mol; (15)Boiling Point: 217.9 °C at 760 mmHg; (16)Vapour Pressure: 0.129 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzaldehyde,3-chloro-2,4-difluoro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Fc1ccc(C=O)c(F)c1Cl
(2)InChI: InChI=1/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
(3)InChIKey: PDBQQCWWJXDNJO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
(5)Std. InChIKey: PDBQQCWWJXDNJO-UHFFFAOYSA-N