Sodium 2,5-difluorobenzoate supplier

Name
SODIUM 2,5-DIFLUOROBENZOATE
EINECS
CAS No. 522651-42-9
Density
Solubility
Melting Point
Formula C₇H₃F₂NaO₂
Boiling Point 244.7 °C at 760 mmHg
Molecular Weight 180.08
Flash Point 101.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Sodium 2,5-difluorobenzoate;2,5-Difluorobenzoate Sodium;
PSA 40.13000
LogP 0.32830

Sodium 2,5-difluorobenzoate Specification

The Benzoic acid, 2,5-difluoro-, sodium salt (1:1), with the CAS registry number 522651-42-9, is also known as 2,5-Difluorobenzoate Sodium. This chemical's molecular formula is C₇H₃F₂NaO₂ and molecular weight is 180.08. What's more, its systematic name is sodium 2,5-difluorobenzoate.

Physical properties of Benzoic acid, 2,5-difluoro-, sodium salt (1:1) are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 101.8 °C; (14)Enthalpy of Vaporization: 50.91 kJ/mol; (15)Boiling Point: 244.7 °C at 760 mmHg; (16)Vapour Pressure: 0.016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])c1cc(F)ccc1F
(2)InChI: InChI=1S/C7H4F2O2.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
(3)InChIKey: YABTWKXFBHYZNH-UHFFFAOYSA-M

Product Name

SODIUM 2,5-DIFLUOROBENZOATE

Sodium 2,5-difluorobenzoate Specification

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