Sodium 2,6-difluorobenzoate supplier

Name
Sodium 2,6-difluorobenzoate
EINECS
CAS No. 6185-28-0
Article Data1
CAS DataBase
Density
Solubility
Melting Point
Formula C₇H₃F₂NaO₂
Boiling Point 231 °C at 760 mmHg
Molecular Weight 180.086
Flash Point 93.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Sodium 2,6-difluorobenzoate;
PSA 40.13000
LogP 0.32830

Sodium 2,6-difluorobenzoate Specification

The Benzoic acid, 2, 6-difluoro-, sodium salt (1:1) has CAS registry number 6185-28-0. This chemical's molecular formula is C₇H₃F₂NaO₂ and molecular weight is 180.08. What's more, its systematic name is Sodium 2, 6-difluorobenzoate. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzoic acid, 2, 6-difluoro-, sodium salt (1:1) are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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: 93.5 °C; (14)Enthalpy of Vaporization: 49.42 kJ/mol; (15)Boiling Point: 231 °C at 760 mmHg; (16)Vapour Pressure: 0.0358 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].O=C([O-])c1c(F)cccc1F
(2) InChI: InChI=1/C7H4F2O2.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
(3) InChIKey: NSAGNHHXPUCREY-REWHXWOFAG

Product Name

Sodium 2,6-difluorobenzoate

Sodium 2,6-difluorobenzoate Specification

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