Basic information
- CAS
129-16-8- Standard SMILES
O.O=C(O)c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2[c]([Hg])c(O)c(Br)cc12.[Na+]- InChIKey
QJJYLIJNUFJILQ-UHFFFAOYSA-N- Molecular formula
- C20H11Br2HgNaO6+
- Average molar mass
- 730.7 g/mol
- Monoisotopic mass
- 729.85265
Names & identifiers
- Preferred name
- Pharmakon1600-01500637
- IUPAC
- sodium;[2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate
- English name
- MERBROMIN
- Molecular formula
- C20H11Br2HgNaO6
- Molecular weight
- 730.69
Names & synonyms
Pharmakon1600-01500637NSC48272NSC-48272NSC757381Hg2sb2o7fluorochromeMERCUROCHROMEdomfEmcerolflavurolChromineEkakrome
Show more names
MERBROMINMarbromin
Database identifiers
- CAS
129-16-8- PubChem CID
- 54598522
Properties
Computed structural properties
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 807
Physicochemical properties
- Melting point
- 300 °C · ≥300 °C
- storage temp.
- Poison room
- solubility
- 50 mg/mL · Water : ≥ 50 mg/mL (66.43 mM);DMSO : 6.67 mg/mL (8.86 mM)
- form
- crystalline
- color
- green
- Odor
- Odorless
- PH Range
- 8.5 · 8.5 - 9
- Water Solubility
- 2.561 g/L · 2.561g/L at 25℃
- Merck
- 13 · 13,5892
- Stability
- Stable. Incompatible with strong oxidizing agents, strong acids.
- InChI
- InChI=1S/C20H9Br2O5.Hg.Na.H2O.H/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20;;;;/h1-7,23-24H;;;1H2;/q;+1;;;/p-1
- InChIKey
- DWCWFRMTTRCCLB-UHFFFAOYSA-M
- SMILES
- O=C1C2C=CC=CC=2C2(C3=CC(Br)=C(O)C=C3OC3C(=C(O)C(Br)=CC2=3)[Hg]O)O1.[NaH]
- LogP
- 1.418 at · 1.418 at 25℃
- CAS DataBase Reference
- 129 · 129-16-8(CAS DataBase Reference)
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
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- LM5250000
- ridadr
- UN 2025 6.1/PG 2
- Toxicity
- mouse,LD50,intravenous,50mg/kg (50mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 645, 1931.
- 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
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
- Precautionary statements
- P262-P273-P280-P302+P352+P310-P304+P340+P310-P314
- Hazardous Substances Data
- 129-16-8(Hazardous Substances Data)
Chemistry & industry
Applications
Usesanthelmintic
UsesAntiseptic and applied topically
Upstream & downstream products
Upstream raw materials
Suppliers51 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
贵州省铜仁银湖化工有限公司制药厂[email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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