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Mercurate(2-), (orthoborato(3-)-O)phenyl-, dihydrogen

HCID 7627
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
102-98-7
Standard SMILES
[Hg+][c]1ccccc1.[O-]B(O)O
InChIKey
VUXSPDNLYQTOSY-UHFFFAOYSA-N
Molecular formula
C6H7BHgO3
Average molar mass
338.52 g/mol
Monoisotopic mass
340.019468

Overview

See also: Phenylmercury borate (preferred).

Names & identifiers

Preferred name
Mercurate(2-), (orthoborato(3-)-O)phenyl-, dihydrogen
IUPAC
dihydrogen borate;phenylmercury(1+)
English name
Phenylmercuric borate
Molecular formula
C6H7BHgO3
Molecular weight
338.52

Names & synonyms

FormaseptExomycol gelCaswell No. 656CPMB (VAN)EINECS 203-068-1Mercury, (dihydrogen borato)phenyl-EPA Pesticide Chemical Code 066005NSC 163948Mercurate(2-), (orthoborato(3-)-O)phenyl-, dihydrogenUNII-ZT1TTY3NGJphenylmercury dihydrogen borate(Orthoborato(3-)-O)phenylmercurate(2-), dihydrogen
Show more names
pmbPhenylmercuricPHENYLMERCURY BORATEryfenspidoxmerfenmerphenspidoxolfamoseptfenosept
SCHEMBL1650596Mercurate(2-), (orthoboroato(3-)-O)phenyl, dihydrogenBoric acid, phenylmercury deriv.PHENYLMERCURY BORATE [MI]Phenylmercury(1+) dihydrogen borateDihydrogen (orthoborato(3-)-O)phenylmercurate(2-)(ORTHOBORATO(3-)-O)PHENYLMERCURATE(2-) DIHYDROGENMercurate(2-), (orthoborato(3-)-kappaO)phenyl-, dihydrogen

Database identifiers

CAS
102-98-7

Properties

Computed structural properties

Topological polar surface area
63.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
56.9

Physicochemical properties

Melting point
112 · 112-113°
form
solid
Cosmetics Ingredients Functions
PRESERVATIVE
CAS DataBase Reference
102 · 102-98-7(CAS DataBase Reference)
FDA UNII
1 TTY3NGJ · ZT1TTY3NGJ
ATC code
8 AK02 · D08AK02
EPA Substance Registry System
Mercurate(2-), [orthoborato(3-)-.kappa.O]phenyl-, dihydrogen (102-98-7)
Symbol(GHS)
8 · GHS08,GHS09,GHS06
Signal word
Danger
Hazard statements
373 · H373-H310-H410-H362-H330-H300
Precautionary statements
201 · P201-P260-P263-P264-P270-P308+P313-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P314-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Risk Statements
28 · 28-36/37/38
Safety Statements
26 · 26-36/37/39
RIDADR
2026 · 2026

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

ridadr
2026
risk_code
28-36/37/38
Signal word
Danger
Symbol(GHS)
GHS08,GHS09,GHS06
safety_code
26-36/37/39
hazard_class
6.1(a)
packing_group
II
Hazard statements
H373-H310-H410-H362-H330-H300
Precautionary statements
P201-P260-P263-P264-P270-P308+P313-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P314-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501

Chemistry & industry

Applications · 1 item

UsesPhenylomercuric borate is primarily used as an antibacterial preservative in topical pharmaceutical preparations. For example, a composition for treating ocular fungal and bacterial infections can be prepared by using at least one of the following mercury-based preservatives with dual antifungal and antibacterial effects: thimerosal, phenylmercuric nitrate, phenylmercuric nitrate base, phenylmercuric acetate, phenylmercuric borate, tert-butylmercuric acid, mercuric cyanide, sodium benzylsulfonylmercuric acid, and salts and derivatives of any of these compounds as the main active ingredient. This composition, along with excipients composed of antioxidants, pH adjusters, and osmotic pressure adjusters, and water—a carrier for dissolving the aforementioned mercury-based preservatives and excipients—to form the composition for treating ocular fungal and bacterial infections of this invention. This composition can be used in various ophthalmic dosage forms and is highly effective in treating fungal keratitis, thus providing patients and doctors with a new, safe, efficient, inexpensive, and convenient ophthalmic composition with dual antifungal and antibacterial effects.

Upstream & downstream products

Upstream raw materials

Boric acidHydroxyphenylmercury

Suppliers9 total

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
7627
DTXSID
DTXSID5046308
UNII
ZT1TTY3NGJ
HazardClass
6.1 · 6.1(a)
PackingGroup
II
厦门盈融达化工有限公司
+86-0592-6210733 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
陕西奥博利辉新材料科技有限公司0917-18691729 18691729963 · [email protected]