CAS No.3686-66-6,SODIUM P-CHLOROBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3686-66-6
Name:	SODIUM P-CHLOROBENZOATE
Article Data:	10

Formula:	C₇H₄ClNaO₂
Molecular Weight:	178.55
Synonyms:	Benzoicacid, 4-chloro-, sodium salt (9CI);Benzoic acid, p-chloro-, sodium salt (8CI);4-Chlorobenzoic acid sodium salt;Microbin;Microbine;Sodium 4-chlorobenzoate;Sodium p-chlorobenzoate;p-Chlorobenzoic acid sodium salt;
Density:	1.374g/cm3
Melting Point:	243oC
Boiling Point:	287.2 °C at 760 mmHg
Flash Point:	127.5 °C
PSA:	40.13000
LogP:	0.70350

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Specification

The Benzoic acid,4-chloro-, sodium salt (1:1) is an organic compound with the formula C₇H₄ClNaO₂. The IUPAC name of this chemical is sodium 4-chlorobenzoate. With the CAS registry number 3686-66-6, it is also named as 4-Chlorobenzoic acid sodium salt. The product's category is Aromatic Esters.

Physical properties about Benzoic acid,4-chloro-, sodium salt (1:1) are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): -0.32; (4)ACD/BCF (pH 5.5): 1.79; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.42; (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: 127.5 °C; (13)Enthalpy of Vaporization: 55.6 kJ/mol; (14)Boiling Point: 287.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00117 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-benzoic acid methyl ester. This reaction will need reagent NaOH and solvent aq. ethanol. The reaction temperature is 25 °C.

Uses of Benzoic acid,4-chloro-, sodium salt (1:1): it can be used to produce 4'-Chlor-O-benzoylglycolsaeureamid at temperature of 90 - 95 °C. It will need solvent dimethylformamide. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])c1ccc(Cl)cc1
(2)InChI: InChI=1/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(3)InChIKey: GHMWZRWCBLXYBX-REWHXWOFAF
(4)Std. InChI: InChI=1S/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: GHMWZRWCBLXYBX-UHFFFAOYSA-M