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| CAS No.: | 2437-49-2 |
|---|---|
| Name: | 2,4,6-TRIBROMORESORCINOL |
| Molecular Structure: | |
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| Formula: | C6H3Br3O2 |
| Molecular Weight: | 346.801 |
| Synonyms: | Resorcinol,2,4,6-tribromo- (6CI,7CI,8CI);1,3,5-Tribromo-2,4-dihydroxybenzene;1,3,5-Tribromo-2,6-dihydroxybenzene;2,4,6-Tribromo-1,3-benzenediol;2,4,6-Tribromo-3-hydroxyphenol;2,4,6-Tribromoresorcinol;NSC 10857; |
| EINECS: | 219-442-2 |
| Density: | 2.571 g/cm3 |
| Melting Point: | 114-116 °C(lit.) |
| Boiling Point: | 254.9 °C at 760 mmHg |
| Flash Point: | 108 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 40.46000 |
| LogP: | 3.38530 |
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Specification
The 2,4,6-Tribromoresorcinol ,its cas register number is 2437-49-2.It also can be called as Resorcinol, 2,4,6-tribromo- and the IUPAC name about this chemical is 2,4,6-Tribromobenzene-1,3-diol .It belongs to the following product categories, such as Organic Building Blocks, Oxygen Compounds, Polyols and so on.
Following are the chemical properties about 2,4,6-Tribromoresorcinol :(1)#H bond acceptors: 2 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 18.46Å2 ; (5)Index of Refraction: 1.716 ; (6)Molar Refractivity: 53.08 cm3 ; (7)Molar Volume: 134.8 cm3 ; (8)Polarizability: 21.04x10-24cm3 ; (9)Surface Tension: 69 dyne/cm ; (10)Enthalpy of Vaporization: 51.22 kJ/mol ; (11)Vapour Pressure: 0.0105 mmHg at 25°C
The 2,4,6-Tribromoresorcinol is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, you need to wear suitable gloves and eye/face protection and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. WGK Germany about this chemical is 3 and RTECS number is VH3500000.
There are some first aid measures: (1) Inhalation, please supply fresh air. If required, provide artificial respiration, and keep patient warm, also consult doctor if symptoms persist; (2) Skin contact, please seek immediate medical advice, then instantly wash with water and soap and rinse thoroughly; (3) Eye contact, please seek immediate medical advice, and rinse opened eye for several minutes under running water. Then consult doctor; (4) Swallowing, please seek immediate medical advice.
This chemical can be described computed from structure:
(1)Canonical SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)Br
(2)InChI: InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
(3)InChIKey: YADZSMVDNYXOOB-UHFFFAOYSA-N
The most important thing about 2,4,6-Tribromoresorcinol is the toxicity, following is the form:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 395mg/kg (395mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 22, Pg. 221, 1964. |