Basic information
- CAS
59-85-8- Standard SMILES
O=C(O)c1cc[c]([Hg+])cc1.[Cl-]- InChIKey
YFZOUMNUDGGHIW-UHFFFAOYSA-M- Molecular formula
- C7H5ClHgO2
- Average molar mass
- 357.16 g/mol
- Monoisotopic mass
- 357.968451
Overview
See also: p-(Chloromercuri)benzoic acid (preferred).
Names & identifiers
- Preferred name
- p-Chloro-mercuric benzoic acid
- IUPAC
- (4-carboxyphenyl)mercury(1+) chloride
- English name
- 4-Chloromercuribenzoic acid
- Molecular formula
- C7H5ClHgO2
- Molecular weight
- 357.16
Names & synonyms
p-Chloro-mercuric benzoic acidEINECS 200-442-6AI3-15315UNII-E1LE0WZ4BOSCHEMBL30240116P-CHLOROMERCURIBENZOIC ACIDDYRP-CMBP-CMBADHFRP1usafd-3NSC 32866
Show more names
DHFR from mousep-Chlormercuribenzoic Acid4-Chloromercuribenzoic acid
Database identifiers
- CAS
59-85-8- PubChem CID
- 6044
- UNII
- E1LE0WZ4BO
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 287 °C · 287 °C (dec.)(lit.)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Aqueous Base (Slightly, Heated),
- form
- solid
- color
- White
- biological source
- mouse
- BRN
- 3662892 · 3662892
- 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
- SMILES
- OC(=O)c1ccc([Hg]Cl)cc1
- CAS DataBase Reference
- 59 · 59-85-8(CAS DataBase Reference)
- FDA UNII
- 1 LE0WZ4BO · E1LE0WZ4BO
- EPA Substance Registry System
- Mercurate(1-), (4-carboxylatophenyl)chloro-, hydrogen (59-85-8)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-8-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OV8050000
- ridadr
- UN 2025 6.1/PG 2
- risk_code
- 26/27/28-33-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T+,N
- safety_code
- 13-28-36-45-60-61
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300-H310-H330-H373-H410
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
- Precautionary statements
- P264-P270-P262-P280-P260-P271-P284-P273-P301+P310-P330-P302+P352-P310-P361+P364-P304+P340-P314-P391-P405-P403+P233-P501
Chemistry & industry
Applications
Uses4-CHLOROMERCURIBENZOIC ACID can be used to inhibit some enzymes that require unmodified cysteine residues (e.g., adenylyl cyclase).
UsesA useful sulfhydryl reagent that reacts with Histidine 225C, a residue of the NhaA-Na/H Antiporter of Escherichia Coli
Suppliers16 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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