2-Bromobenzyl bromide - CAS 3433-80-5
Catalog: |
BB022081 |
Product Name: |
2-Bromobenzyl bromide |
CAS: |
3433-80-5 |
Synonyms: |
1-bromo-2-(bromomethyl)benzene |
IUPAC Name: | 1-bromo-2-(bromomethyl)benzene |
Description: | 2-Bromobenzyl bromide (CAS# 3433-80-5) is a reactant in the synthesis of 1-Benzyl-1H-pyrazole derivatives as receptor interacting protein 1 kinase inhibitors. |
Molecular Weight: | 249.93 |
Molecular Formula: | C7H6Br2 |
Canonical SMILES: | C1=CC=C(C(=C1)CBr)Br |
InChI: | InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2 |
InChI Key: | LZSYGJNFCREHMD-UHFFFAOYSA-N |
Boiling Point: | 129 °C (19 mmHg) |
Melting Point: | 29-32 °C |
Purity: | 95 % |
Density: | 1.849 g/cm3 |
Appearance: | White to off-white powder |
Storage: | 0-6 °C |
MDL: | MFCD00000173 |
LogP: | 3.34400 |
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 |
Publication Number | Title | Priority Date |
CN-113214111-A | Preparation method of 3- (2-cyanophenyl) propionic acid and 4-cyano-1-indanone | 20210430 |
CN-112142665-A | Natural-source thioredoxin reductase inhibitor with novel chemical type and application thereof | 20200930 |
CN-111925349-A | Daphnetin derivative as inhibitor and application and pharmaceutical composition thereof | 20200903 |
CN-111704559-A | Method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile | 20200630 |
CN-111533721-A | Benzopyrone or quinolinone compounds and application thereof | 20200515 |
PMID | Publication Date | Title | Journal |
22412627 | 20120301 | rac-7-[(2E)-But-2-eno-yl]-13-chloro-N-cyclo-hexyl-7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide | Acta crystallographica. Section E, Structure reports online |
21836980 | 20110701 | 3-(2-Bromo-benz-yl)-1-methyl-1H-imidazol-3-ium bromide | Acta crystallographica. Section E, Structure reports online |
21587561 | 20100918 | 1,2-Bis(2-bromo-benz-yl)diselane | Acta crystallographica. Section E, Structure reports online |
19105723 | 20090101 | Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound | Journal of combinatorial chemistry |
19105725 | 20090101 | Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction | Journal of combinatorial chemistry |
Complexity: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.88158 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.88363 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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