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| CAS No.: | 596-43-0 |
|---|---|
| Name: | Triphenylmethyl bromide |
| Article Data: | 33 |
| Molecular Structure: | |
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|
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| Formula: | C19H15Br |
| Molecular Weight: | 323.232 |
| Synonyms: | Methane,bromotriphenyl-(6CI,7CI,8CI);Bromotriphenylmethane;Triphenylbromomethane;Triphenylmethyl bromide;Trityl bromide;a-Bromotriphenylmethane; |
| EINECS: | 209-884-4 |
| Density: | 1.314 g/cm3 |
| Melting Point: | 152-154 ºC |
| Boiling Point: | 381.2 °C at 760 mmHg |
| Flash Point: | 183 °C |
| Appearance: | light yellow powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 5.37340 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The CAS registry number of Trityl bromide is 596-43-0. Its EINECS registry number is 209-884-4. The IUPAC name is [bromo(diphenyl)methyl]benzene. In addition, the molecular formula is C19H15Br and the molecular weight is 323.23. It is also called 2-Bromo-1,1,1-triphenylethane. What's more, it is a kind of light yellow powder and belongs to the classes of Biochemistry; Nucleosides, Nucleotides & Related Reagents; Protecting Agents for Hydroxyl and Amino Groups; Protecting Agents, Phosphorylating Agents & Condensing Agents; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry.
Physical properties about this chemical are: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.51; (4)ACD/LogD (pH 7.4): 6.51; (5)ACD/BCF (pH 5.5): 51876.26; (6)ACD/BCF (pH 7.4): 51876.26; (7)ACD/KOC (pH 5.5): 82519.55; (8)ACD/KOC (pH 7.4): 82519.55; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.627; (11)Molar Refractivity: 87.26 cm3; (12)Molar Volume: 245.9 cm3; (13)Polarizability: 34.59 ×10-24cm3; (14)Surface Tension: 44.8 dyne/cm; (15)Density: 1.314 g/cm3; (16)Flash Point: 183 °C; (17)Enthalpy of Vaporization: 60.48 kJ/mol; (18)Boiling Point: 381.2 °C at 760 mmHg; (19)Vapour Pressure: 1.13E-05 mmHg at 25°C.
Uses of Trityl bromide: it can be used to get triphenylmethane. This reaction will need reagent zinc-modified cyanoborohydride and solvent diethyl ether. The reaction time is 0.5 hour with ambient temperature. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
(3)InChIKey: NZHXEWZGTQSYJM-UHFFFAOYAC
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04015, |