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CAS No.: | 644985-24-0 |
---|---|
Name: | 2,3-DIFLUORO-4-BROMOBENZALDEHYDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H3BrF2O |
Molecular Weight: | 221.001 |
Synonyms: | 1-Bromo-2,3-difluoro-4-formylbenzene;2,3-Difluoro-4-bromobenzaldehyde; |
EINECS: | 642-799-4 |
Density: | 1.758 g/cm3 |
Melting Point: | 66-67℃ |
Boiling Point: | 239.859 °C at 760 mmHg |
Flash Point: | 98.864 °C |
Solubility: | Slightly soluble in water. |
PSA: | 17.07000 |
LogP: | 2.53980 |
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The 4-Bromo-2,3-difluorobenzaldehyde, with the CAS registry number 644985-24-0, is also known as 2,3-Difluoro-4-bromobenzaldehyde. This chemical's molecular formula is C7H3BrF2O and molecular weight is 221.00. What's more, its systematic name is 4-Bromo-2,3-difluorobenzaldehyde.
Physical properties of 4-Bromo-2,3-difluorobenzaldehyde are: (1)ACD/LogP: 2.783; (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): 76.78; (6)ACD/BCF (pH 7.4): 76.78; (7)ACD/KOC (pH 5.5): 778.18; (8)ACD/KOC (pH 7.4): 778.18; (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: 1.56; (14)Molar Refractivity: 40.683 cm3; (15)Molar Volume: 125.704 cm3; (16)Polarizability: 16.128×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.758 g/cm3; (19)Flash Point: 98.864 °C; (20)Enthalpy of Vaporization: 47.676 kJ/mol; (21)Boiling Point: 239.859 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1C=O)F)F)Br
(2)Std. InChI: InChI=1S/C7H3BrF2O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H
(3)Std. InChIKey: IMOLPSNRLZLWQR-UHFFFAOYSA-N