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138-85-2 molecular structure
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sodium (4-carboxylatophenyl)mercurol

ChemBase ID: 137059
Molecular Formular: C7H5HgNaO3
Molecular Mass: 360.69257
Monoisotopic Mass: 361.9842813
SMILES and InChIs

SMILES:
c1cc(ccc1C(=O)[O-])[Hg]O.[Na+]
Canonical SMILES:
O[Hg]c1ccc(cc1)C(=O)[O-].[Na+]
InChI:
InChI=1S/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;2*+1;/p-2
InChIKey:
CBELQCYFTSHKPJ-UHFFFAOYSA-L

Cite this record

CBID:137059 http://www.chembase.cn/molecule-137059.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium (4-carboxylatophenyl)mercurol
IUPAC Traditional name
sodium (4-carboxylatophenyl)mercurol
Synonyms
PCMB
4-(Hydroxymercurio)benzoic acid sodium salt
p-Hydroxymercuribenzoic acid sodium salt
Sodium 4-(hydroxymercurio)benzoate
p-Chloromercuriobenzoate
p-Chloromercuribenzoate
4-(Hydroxymercuri)benzoic acid sodium salt
4-(羟基汞)苯甲酸钠
4-(羟基汞基)苯甲酸 钠盐
对羟基汞苯甲酸 钠盐
对羟基汞基苯甲酸钠盐
4-氯苯甲酸汞 钠盐
CAS Number
138-85-2
EC Number
205-340-5
MDL Number
MFCD00002527
Beilstein Number
6118796
PubChem SID
24879457
162231324
PubChem CID
23667696

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23667696 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8617046  H Acceptors
H Donor LogD (pH = 5.5) -1.7623521 
LogD (pH = 7.4) -3.421009  Log P -0.1181 
Molar Refractivity 46.1322 cm3 Polarizability 20.729202 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
≥300 °C expand Show data source
RTECS
OV8150000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2025 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/27/28-33-50/53 expand Show data source
Safety Statements
13-28-36-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330-H373-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2025 6.1/PG 2 expand Show data source
Purity
≥95.0% (Hg) expand Show data source
Linear Formula
4-HOHgC6H4CO2Na expand Show data source
Empirical Formula (Hill Notation)
C7H5HgNaO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 55540 external link
Other Notes
(Appeared mistaken as p-chloromercuriobenzoate [PCMB] in earlier literature); For the determination of sulfhydryl groups in proteins according to Boyer1; By atomic absorption2; Stopped-flow measurements; G. Castronuovo-Lepore et al.3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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