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4-Bromo-2,3-difluorobenzaldehyde

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Name

4-Bromo-2,3-difluorobenzaldehyde

EINECS 642-799-4
CAS No. 644985-24-0 Density 1.758 g/cm3
PSA 17.07000 LogP 2.53980
Solubility Slightly soluble in water. Melting Point 66-67℃
Formula C7H3BrF2O Boiling Point 239.859 °C at 760 mmHg
Molecular Weight 221.001 Flash Point 98.864 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 644985-24-0 (2,3-DIFLUORO-4-BROMOBENZALDEHYDE) Hazard Symbols N/A
Synonyms

1-Bromo-2,3-difluoro-4-formylbenzene;2,3-Difluoro-4-bromobenzaldehyde;

Article Data 10

4-Bromo-2,3-difluorobenzaldehyde Specification

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

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