4-Carboxy-2,6-difluorobenzaldehyde supplier

Name
4-Carboxy-2,6-difluorobenzaldehyde
EINECS
CAS No. 736990-88-8
Article Data1
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point
Formula C₈H₄F₂O₃
Boiling Point 319.877 °C at 760 mmHg
Molecular Weight 186.115
Flash Point 147.257 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Difluoro-4-formylbenzoic acid
PSA 54.37000
LogP 1.47550

4-Carboxy-2,6-difluorobenzaldehyde Specification

The 4-Carboxy-2,6-difluorobenzaldehyde has CAS registry number 736990-88-8. Its molecular formula is C₈H₄F₂O₃ and molecular weight is 186.1123664. What's more, its systematic name is 3,5-Difluoro-4-formyl-benzoic acid.

Physical properties about the 4-Carboxy-2,6-difluorobenzaldehyde are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.217; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.37 Å²; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 39.923 cm³; (13)Molar Volume: 122.048 cm³; (14)Surface Tension: 52.616 dyne/cm; (15)Density: 1.525 g/cm³; (16)Flash Point: 147.257 °C; (17)Enthalpy of Vaporization: 59.278 kJ/mol; (18)Boiling Point: 319.877 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(c(c1F)C=O)F)C(=O)O
(2) InChI: InChI=1/C8H4F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)
(3) InChIKey: FRAXEZGWRAVEIK-UHFFFAOYAB

Product Name

4-Carboxy-2,6-difluorobenzaldehyde

4-Carboxy-2,6-difluorobenzaldehyde Specification

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