CAS 59-85-8|4-Chloromercuribenzoic acid|(4-carboxyphenyl)(chloro)mercury|PCMB|对氯汞苯甲酸|4-Chloromercuribenzoate|<i>p</i>-Chloromercuribenzoate|4-氯苯甲酸汞|4-(Chloromercurio)benzoic acid|p-chloro...

Molecular Formula

C₇H₅ClHgO₂

Molecular Mass

357.1564

Exact Mass

357.96845008

InChI

InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1

InChIKey

YFZOUMNUDGGHIW-UHFFFAOYSA-M

Canonic Smiles

Cl[Hg]c1ccc(cc1)C(=O)O

Isomeric Smiles

[Hg](c1ccc(cc1)C(=O)O)Cl

JChem

Acid pKa

3.8978872

H Acceptors

H Donor

LogD (pH = 5.5)

-0.55662894

LogD (pH = 7.4)

-2.2289178

Log P

1.0526

Molar Refractivity

38.8668

Polarizability

22.044619

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Synonyms

4-Chloromercuribenzoic acid对氯汞苯甲酸4-Chloromercuribenzoatep-Chloromercuribenzoate4-氯苯甲酸汞4-(Chloromercurio)benzoic acidp-Chloromercurybenzoic acid4-Chloromercuribenzoic acid4-氯汞苯甲酸4-(Hydroxymercuri)benzoic acid

IUPAC name

(4-carboxyphenyl)(chloro)mercury

IUPAC Traditional name

PCMB p-chloromercuribenzoic acid

MDL Number

MFCD00002526

Beilstein Number

3662892

PubChem SID

24278323162077925

Physical Property

Melting Point

287°C

287 °C (dec.)

287 °C (dec.)(lit.)

Risk Statements

R26/27/28 33 50/53

26/27/28-33-50/53

Safety Statements

S13 28 36 45 60 61

13-28-36-45-60-61

UN Number

2025

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

European Hazard Symbols

Highly toxic (T+)

Nature polluting (N)

RID/ADR

UN 2025 6.1/PG 2

German water hazard class

Hazard Class

6.1

RTECS

OV8050000

Packing Group

GHS Precautionary statements

P260-P264-P273-P280-P284-P301+P310

GHS Signal Word

Danger

GHS Hazard statements

H300-H310-H330-H373-H410

MSDS Link

Download link

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

Description

cysteine active site modifier

Linear Formula

ClHgC6H4CO2H

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

C5913

Application
Can be used to inhibit some enzymes that require unmodified cysteine residues (e.g., adenylyl cyclase).
包装
5 g in glass bottle

Apollo Scientific

OR6780T

A useful sulfhydryl reagent that reacts with Histidine 225C, a residue of the NhaA-Na/H Antiporter of Escherichia Coli.

No Data Available

Click here to submit data

Synonyms

IUPAC name

(4-carboxyphenyl)(chloro)mercury

IUPAC Traditional name

PCMB p-chloromercuribenzoic acid

MDL Number

Beilstein Number

PubChem SID

C5913

Application
Can be used to inhibit some enzymes that require unmodified cysteine residues (e.g., adenylyl cyclase).
包装
5 g in glass bottle

Apollo Scientific

OR6780T

A useful sulfhydryl reagent that reacts with Histidine 225C, a residue of the NhaA-Na/H Antiporter of Escherichia Coli.

No Data Available

Click here to submit data

Physical Property

Melting Point

287°C

287 °C (dec.)

287 °C (dec.)(lit.)

Safety Information

Product Information

Description

cysteine active site modifier

Linear Formula

ClHgC6H4CO2H

Molecule

ID:91221