3-Phenylbenzyl bromide - CAS 14704-31-5
Catalog: |
BB010149 |
Product Name: |
3-Phenylbenzyl bromide |
CAS: |
14704-31-5 |
Synonyms: |
1-(bromomethyl)-3-phenylbenzene |
IUPAC Name: | 1-(bromomethyl)-3-phenylbenzene |
Description: | 3-Phenylbenzyl bromide (CAS# 14704-31-5) is a compound useful in organic synthesis. |
Molecular Weight: | 247.13 |
Molecular Formula: | C13H11Br |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC=C2)CBr |
InChI: | InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2 |
InChI Key: | RTFPTPXBTIUISM-UHFFFAOYSA-N |
Boiling Point: | 185 °C / 12 mmHg |
Melting Point: | 57-61 °C |
Purity: | 98 % |
Density: | 1.341 g/cm3 |
Appearance: | Offwhite to light yellow crystal powder |
MDL: | MFCD03452790 |
LogP: | 4.24850 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021201036-A1 | Hydroxypyrrolidine derivative and medicinal application thereof | 20200331 |
JP-2021123539-A | Pyrrolopyrimidinone compound | 20200203 |
CN-110872232-A | Phase transfer catalyzed β -keto ester asymmetric α -difluoromethylation method | 20191108 |
CN-109776445-A | Benzoxadiazole class compound and preparation method thereof and medical usage | 20190328 |
WO-2020122092-A1 | Heterocyclic compound | 20181212 |
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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