CAS No.14110-97-5,4-(CHLOROMERCURI)BENZENESULFONIC ACID, SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14110-97-5
Name:	4-(CHLOROMERCURI)BENZENESULFONIC ACID, SODIUM SALT

Formula:	C₆H₄ClHgNaO₃S
Molecular Weight:	415.19
Synonyms:	Mercury,chloro(p-sulfophenyl)-, sodium salt (8CI);Monosodiump-chloromercuriphenylsulfonic acid;Sodium p-chloromercuribenzenesulfonate;Sodium p-chloromercuriphenylsulfonate;p-Chloromercuribenzenesulfonic acidsodium salt;p-Chloromercuriphenylsulphonic acid monosodium salt;
Melting Point:	>370 °C
Appearance:	off-white powder
Hazard Symbols:	T
Transport Information:	UN 2025
PSA:	65.58000
LogP:	1.53310

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Specification

The Mercurate(1-), chloro(4-sulfophenyl)-, sodium (9CI), with the CAS registry number 14110-97-5, is also known as 4-(Chloromercuri)benzenesulfonic acid, sodium salt. It belongs to the product categories of MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents. This chemical's molecular formula is C₆H₄ClHgNaO₃S and molecular weight is 415.19. What's more, its systematic name is Sodium chloro(4-sulfonatophenyl)mercury. In addition, this chemical is toxic, and it may cause damage to health. Besides, it is a useful sulfhydryl reagent that reacts with Histidine 225C, and a residue of the NhaA-Na/H Antiporter of Escherichia coli.

Physical properties about Mercurate(1-), chloro(4-sulfophenyl)-, sodium (9CI) are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.47; (4)ACD/LogD (pH 7.4): -3.47; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.75 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].O=S([O-])(=O)c1ccc([Hg]Cl)cc1
(2) InChI: InChI=1/C6H5O3S.ClH.Hg.Na/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H,7,8,9);1H;;/q;;2*+1/p-2/rC6H5ClHgO3S.Na/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4H,(H,9,10,11);/q;+1/p-1
(3) InChIKey: BPDSRKSETVILKT-KLYWVYOIAX