(bromodiphenylmethyl)benzene

• ChemBase ID: 111506
• Molecular Formular: C19H15Br
• Molecular Mass: 323.2264
• Monoisotopic Mass: 322.03571248
• SMILES: BrC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: BrC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/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
• InChIKey: NZHXEWZGTQSYJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (bromodiphenylmethyl)benzene
• IUPAC Traditional name: (bromodiphenylmethyl)benzene
• Synonyms: TRIPHENYLBROMOMETHANE; Triphenylbromomethane; Trityl bromide; Bromotriphenylmethane; Triphenylmethylbromide; 三苯基溴甲烷; 三苯甲基溴; 溴三苯基甲烷

Database IDs

• CAS Number: 596-43-0
• EC Number: 209-884-4
• MDL Number: MFCD00000120
• Beilstein Number: 1878494
• PubChem SID: 162098113; 24900521; 24851153
• PubChem CID: 11692

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1784654
• LogD (pH = 7.4): 6.1784654
• Log P: 6.1784654
• Molar Refractivity: 89.346 cm^3
• Polarizability: 33.900356 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: dioxane: soluble0.1 g/mL, clear
• Melting Point: 152-154 °C(lit.); 152-155 °C; 152-156°C
• Boiling Point: 230 °C/15 mmHg(lit.); 230°C/15mm
• Density: 1.55

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: PA5550000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (AT); 98%
• Grade: purum
• Linear Formula: (C6H5)3CBr

DETAILS

MP Biomedicals - 05219562

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T83607

Application
Reagent for the preparation of trityl esters.
Packaging
25, 100 g in glass bottle

REFERENCES

• More reactive reagent than Chlorotriphenylmethane, A11799 for the preparation of trityl esters: J. Org. Chem.,27, 3595 (1962). One-pot conversion of amino acids to their N-trityl derivatives involves N,O-ditritylation and selective methanolysis of the trityl ester: Synthesis, 198 (1989). See also Appendix 6.