2,5-Dichlorobenzyl bromide - CAS 85482-13-9
Catalog: |
BB037632 |
Product Name: |
2,5-Dichlorobenzyl bromide |
CAS: |
85482-13-9 |
Synonyms: |
2-(bromomethyl)-1,4-dichlorobenzene |
IUPAC Name: | 2-(bromomethyl)-1,4-dichlorobenzene |
Description: | 2,5-Dichlorobenzyl bromide (CAS# 85482-13-9) is a useful research chemical. |
Molecular Weight: | 239.92 |
Molecular Formula: | C7H5BrCl2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CBr)Cl |
InChI: | InChI=1S/C7H5BrCl2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2 |
InChI Key: | UUVDOPTUDWJHFK-UHFFFAOYSA-N |
Boiling Point: | 138 ℃ / 14 mmHg |
Melting Point: | 38-42 ℃ |
Purity: | 97+ % |
Density: | 1.68 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00236034 |
LogP: | 3.88830 |
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-108191885-B | Piperidinothiophene micromolecule organic compound and application thereof | 20180129 |
US-2020308145-A1 | Benzimidazole derivatives and their uses | 20171019 |
JP-2019006759-A | Method for producing aromatic compound | 20170626 |
CN-110573509-A | MLKL inhibitors | 20170228 |
US-2019381052-A1 | MLKL Inhibitors | 20170228 |
PMID | Publication Date | Title | Journal |
22590253 | 20120501 | [2-(2,5-Dichloro-benz-yl)-4-hy-droxy-1,1-dioxo-2H-1,2-benzothia-zin-3-yl](phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22199701 | 20111201 | 1-[2-(2,5-Dichloro-benz-yloxy)-2-phenyl-eth-yl]-1H-benzotriazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.89517 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.89517 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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