CAS No.499-90-1,Sodium 4-fluorobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	499-90-1
Name:	Sodium 4-fluorobenzoate
Article Data:	4

Formula:	C₇H₄FNaO₂
Molecular Weight:	162.096
Synonyms:	Benzoicacid, 4-fluoro-, sodium salt (9CI);Benzoic acid, p-fluoro-, sodium salt (8CI);Sodium 4-fluorobenzoate;Sodium p-fluorobenzoate;p-fluorobenzoicacidsodiumsalt;
Boiling Point:	253.7 °C at 760 mmHg
Flash Point:	107.2 °C
Hazard Symbols:	Xi
PSA:	40.13000
LogP:	0.18920

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Specification

The CAS register number of Benzoic acid,4-fluoro-, sodium salt (1:1) is 499-90-1. It also can be called as p-fluorobenzoicacidsodiumsalt and the systematic name about this chemical is sodium 4-fluorobenzoate. The molecular formula about this chemical is C₇H₄FNaO₂ and the molecular weight is 162.09. This chemical is irritant.

Physical properties about Benzoic acid,4-fluoro-, sodium salt (1:1) are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.6; (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: 107.2 °C; (13)Enthalpy of Vaporization: 51.89 kJ/mol; (14)Boiling Point: 253.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00936 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])c1ccc(F)cc1
(2)InChI: InChI=1/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(3)InChIKey: BXUFZAPBZADONQ-REWHXWOFAY
(4)Std. InChI: InChI=1S/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: BXUFZAPBZADONQ-UHFFFAOYSA-M

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intravenous	1542mg/kg (1542mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 31, Pg. 253, 1942.