CAS No.103-27-5,Phenylmercurypropionate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103-27-5
Name:	Phenylmercurypropionate

Formula:	C₁₈H₁₈HgO₄
Molecular Weight:	498.92
Synonyms:	Mercury, phenyl(propionato)- (8CI);Mercury,phenyl(propionyloxy)- (7CI);Phenylmercury propionate (6CI);Metasol 57;Metasol P-6;NSC 11822;Phenyl(propionyloxy)mercury;Mercury,phenyl(propanoato-kO)-;Phenylmercuric propionate;
EINECS:	203-094-3
Melting Point:	80-81 °C
Transport Information:	UN 2026 6.1/PG 2
PSA:	26.30000
LogP:	1.26260

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Consensus Reports

Mercury and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: CL 0.1 mg(Hg)/m³ (skin)
ACGIH TLV: TWA 0.1 mg(Hg)/m³ (skin); BEI: 35 μg/g creatinine total inorganic mercury in urine preshift; 15 μg/g creatinine total inorganic mercury in blood at end of shift at end of workweek.
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (Mercury, Aryl and Inorganic) CL 0.1 mg/m³ (skin)

Specification

The Phenylmercury propionate, with the CAS registry number 103-27-5, is also known as Mercury, phenyl(propanoato-kappaO)-. It belongs to the product category of Organometallics. Its EINECS registry number is 203-094-3. This chemical's molecular formula is C₁₈H₁₈HgO₄ and molecular weight is 498.92. What's more, its systematic name is called Phenyl(propanoato-kappaO)mercury.

Physical properties about Phenylmercury propionate are: (1)ACD/LogP: 1.241; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.17; (6)ACD/BCF (pH 7.4): 5.17; (7)ACD/KOC (pH 5.5): 112.80; (8)ACD/KOC (pH 7.4): 112.80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)O[Hg]c1ccccc1
(2)InChI: InChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1
(3)InChIKey: OOCYPIXCHKROMD-UHFFFAOYSA-M