CAS No.539-43-5,P-TOLYLMERCURIC CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	539-43-5
Name:	P-TOLYLMERCURIC CHLORIDE
Article Data:	22

Formula:	C₇H₇ClHg
Molecular Weight:	327.176
Synonyms:	4-Methylphenylmercuric chloride;
EINECS:	208-716-7
Melting Point:	223-227 °C
PSA:	0.00000
LogP:	1.85660

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Specification

The Mercury,chloro(4-methylphenyl)-, with the CAS registry number of 539-43-5, is also known as 4-Methylphenylmercuric chloride. It belongs to the product categories of Aromatics Compounds; Aromatics; Miscellaneous Reagents. Its EINECS registry number is 208-716-7. Its molecular formula is C₇H₇ClHg and molecular weight is 327.17. What's more, its IUPAC name is Chloro-(4-methylphenyl)mercury.

Physical properties about the Mercury,chloro(4-methylphenyl)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.68; (6)ACD/BCF (pH 7.4): 29.68; (7)ACD/KOC (pH 5.5): 394.1; (8)ACD/KOC (pH 7.4): 394.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å².

Uses: it is used to produce other chemicals. For example, it is used to produce 4,4'-Dimethyl-biphenyl. This reaction needs reagent Bu₄N(1+)*I(1-). Meanwhile, it needs solvent Hexamethylphosphoric acid triamide. The reaction time is 2 h with reaction temperature of 20 °C. The yield is about 99 %.

The Mercury,chloro(4-methylphenyl)- is used to produce 4,4'-Dimethyl-biphenyl

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[Hg]c1ccc(cc1)C
(2) InChI: InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1/rC7H7ClHg/c1-6-2-4-7(9-8)5-3-6/h2-5H,1H3
(3) InChIKey: PWIXOHDPHIQCLY-JWSVDWJAAA