Phenol, 4-chloro-,sodium salt (1:1)

The Phenol, 4-chloro-, sodium salt (1:1), with the CAS registry number of 1193-00-6, is also known as 4-Chlorophenol sodium salt. Its EINECS registry number is 214-762-9. This chemical's molecular formula is C₆H₄ClNaO and molecular weight is 150.54. What's more, its IUPAC name is Sodium 4-chlorophenolate.

Physical properties about Phenol, 4-chloro-, sodium salt (1:1) are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 41.07; (6)ACD/BCF (pH 7.4): 40.73; (7)ACD/KOC (pH 5.5): 497.25; (8)ACD/KOC (pH 7.4): 493.09; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Flash Point: 80.1 °C; (14)Enthalpy of Vaporization: 47.5 kJ/mol; (15)Boiling Point: 220 °C at 760 mmHg; (16)Vapour Pressure: 0.0783 mmHg at 25 °C.

Preparation: this chemical is prepared by 4-Chloro-phenol. This reaction needs reagent NaH. Meanwhile, it needs solvents Benzene and Diethyl ether. The reaction time is 30 minutes. The yield is about 77 %.

Uses of Phenol, 4-chloro-, sodium salt (1:1): it is used to produce other chemicals. For example, it is used to produce 6-p-Chlorophenoxy-4-thia-1-hexene. The reaction needs reagent Toluene. The yield is about 48.5 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]c1ccc(Cl)cc1
(2) InChI: InChI=1/C6H5ClO.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
(3) InChIKey: CFPLEOLETMZLIB-REWHXWOFAV