2-Phenylbenzyl bromide - CAS 19853-09-9
Catalog: |
BB015352 |
Product Name: |
2-Phenylbenzyl bromide |
CAS: |
19853-09-9 |
Synonyms: |
1-(bromomethyl)-2-phenylbenzene |
IUPAC Name: | 1-(bromomethyl)-2-phenylbenzene |
Description: | 2-Phenylbenzyl bromide (CAS# 19853-09-9) is used as a reagent in synthesizing diarylmethyl benzimidazoles as inhibitors of hepatitis C virus RNA-dependent RNA polymerase. |
Molecular Weight: | 247.13 |
Molecular Formula: | C13H11Br |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=CC=C2CBr |
InChI: | InChI=1S/C13H11Br/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10H2 |
InChI Key: | SEXZHJJUKFXNDY-UHFFFAOYSA-N |
Boiling Point: | 374.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.353 g/mL at 25 °C (lit.) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00075454 |
LogP: | 4.24850 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21581583 | 20081213 | 1-(2-Phenyl-benz-yl)-3-(2,4,6-trimethyl-benz-yl)imidazolidinium bromide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.00441 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.00441 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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