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| CAS No.: | 129-16-8 |
|---|---|
| Name: | MERBROMIN |
| Molecular Structure: | |
|
|
|
| Formula: | C20H8Br2HgO6.2Na |
| Molecular Weight: | 750.65 |
| Synonyms: | Fluorescein,2',7'-dibromo-4'-(hydroxymercuri)-, disodium salt (7CI);Mercury,(2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxy-,disodium salt (9CI);Mercury,[2,7-dibromo-9-(o-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-4-yl]hydroxy-, disodiumsalt (8CI);2,7-Dibromo-4-hydroxymercurifluoresceine disodium salt;Disodium 2,7-dibromo-4-(hydroxymercuri)fluorescein;Sodium 2,7-dibromo-4-hydroxymercurifluorescein; |
| EINECS: | 204-933-6 |
| Melting Point: | ≥300 °C |
| Solubility: | 2.561g/L at 25℃ |
| Appearance: | dark green solid |
| Hazard Symbols: |
 T+, N
|
| Risk Codes: | 26/27/28-33-50/53 |
| Safety: | 13-28-36-45-60-61 |
| Transport Information: | UN 2025 6.1/PG 2 |
| PSA: | 113.63000 |
| LogP: | 3.59240 |
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Specification
The Mercurochrome, with the CAS registry number 129-16-8, is also known as Mercury, [2,7-dibromo-9-(2-carboxylatophenyl)-6-olato-3-oxo-3H-xanthen-5-yl]hydroxy-, sodium salt (1:2). It belongs to the product category of Organometallics. Its EINECS registry number is 204-933-6. This chemical's molecular formula is C20H8Br2HgNa2O6 and molecular weight is 750.65. What's more, both its IUPAC name and systematic name are the same which is called Disodium [2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxo-xanthen-4-yl]-hydroxy-mercury. It can be used as medicine disinfectant and chemical products of raw materials.
Physical properties about Mercurochrome are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 109.72 Å2.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It's very toxic by inhalation, in contact with skin and if swallowed. So you should keep it away from food, drink and animal feeding stuffs. After contacting with skin, you should wash immediately with plenty of abluent which is be specified by the manufacturer. In case of accident or if you feel unwell seek medical advice immediately. In addition, it may present an immediate or delayed danger to one or more components of the environment. This chemical very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. What's more, it may cause danger of cumulative effects. Therefore, this material and its container must be disposed of as hazardous waste. And you should refer to special instructions/safety data sheet before releasing it to the environment.
You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].[O-]C(=O)c4ccccc4C=1c3cc(Br)c([O-])c([Hg]O)c3O/C/2=C/C(=O)C(/Br)=C\C=1\2
(2) InChI: InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;3*+1;/p-3
(3) InChIKey: SQFDQLBYJKFDDO-UHFFFAOYSA-K
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 50mg/kg (50mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 645, 1931. | |
| mouse | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 71, 1931. | |
| mouse | LDLo | subcutaneous | 20mg/kg (20mg/kg) | Monatsschrift fuer Ohrenheilkunde und Laryngo-Rhinologie. Vol. 73, Pg. 751, 1939. | |
| rabbit | LDLo | intravenous | 15mg/kg (15mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Journal of Pharmacology and Experimental Therapeutics. Vol. 35, Pg. 343, 1929. |
| women | TDLo | oral | 10uL/kg (.01mL/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: OTHER CHANGES | Journal of Toxicology, Clinical Toxicology. Vol. 35, Pg. 657, 1997. |