Sodium 3-fluorobenzoate supplier

Name
Sodium 3-fluorobenzoate
EINECS
CAS No. 499-57-0
Article Data3
CAS DataBase
Density
Solubility
Melting Point
Formula C₇H₄FNaO₂
Boiling Point 251.1 °C at 760 mmHg
Molecular Weight 162.096
Flash Point 105.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Sodium 3-fluorobenzoate;Sodium m-fluorobenzoate;Benzoic acid, m-fluoro-, sodium salt (8CI);Benzoicacid, 3-fluoro-, sodium salt (9CI);
PSA 40.13000
LogP 0.18920

Sodium 3-fluorobenzoate Specification

The CAS register number of Benzoic acid,3-fluoro-, sodium salt (1:1) is 499-57-0. It also can be called as Benzoic acid, m-fluoro-, sodium salt (8CI) and the systematic name about this chemical is sodium 3-fluorobenzoate. The molecular formula about this chemical is C₇H₄FNaO₂ and the molecular weight is 162.09. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzoic acid,3-fluoro-, sodium salt (1:1) are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 0.53; (3)ACD/LogD (pH 7.4): -0.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.3; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å²; (12)Flash Point: 105.7 °C; (13)Enthalpy of Vaporization: 51.6 kJ/mol; (14)Boiling Point: 251.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])c1cc(F)ccc1
(2)InChI: InChI=1/C7H5FO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(3)InChIKey: GCXUCULHJVOCJG-REWHXWOFAP
(4)Std. InChI: InChI=1S/C7H5FO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: GCXUCULHJVOCJG-UHFFFAOYSA-M

Product Name

Sodium 3-fluorobenzoate

Sodium 3-fluorobenzoate Specification

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