3,5-Difluoro-4-(hydroxymethyl)benzoicacid supplier

Name
3,5-Difluoro-4-(hydroxymethyl)benzoicacid
EINECS 604-604-1
CAS No. 1211596-29-0
Density 1.514 g/cm
Solubility
Melting Point
Formula C₈H₆F₂O₃
Boiling Point 329.3 °C at 760 mmHg
Molecular Weight 188.13
Flash Point 153 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Difluoro-4-(hydroxymethyl)benzoicacid
PSA 57.53000
LogP 1.15530

3,5-Difluoro-4-(hydroxymethyl)benzoicacid Specification

The IUPAC name of this chemical is 3,5-Difluoro-4-(hydroxymethyl)benzoicacid. With the CAS registry number 1211596-29-0, it is also named as Benzoic acid, 3,5-difluoro-4-(hydroxymethyl)-. In addition, the molecular formula is C₈H₆F₂O₃ and the molecular weight is 188.13.

Physical properties about 3,5-Difluoro-4-(hydroxymethyl)benzoicacid are: (1)ACD/LogP: 1.29 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.14; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 57.53 Å²; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 39.62 cm³; (12)Molar Volume: 124.1 cm³; (13)Polarizability: 15.7 ×10^-24cm³; (14)Surface Tension: 54.3 dyne/cm; (15)Density: 1.514 g/cm³; (16)Flash Point: 153 °C; (17)Enthalpy of Vaporization: 60.36 kJ/mol; (18)Boiling Point: 329.3 °C at 760 mmHg; (19)Vapour Pressure: 7.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1F)CO)F)C(=O)O
(2)InChI: InChI=1/C8H6F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11H,3H2,(H,12,13)
(3)InChIKey: KJXISPQWLQRHDO-UHFFFAOYAG

Product Name

3,5-Difluoro-4-(hydroxymethyl)benzoicacid

3,5-Difluoro-4-(hydroxymethyl)benzoicacid Specification

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