4-Bromobenzyl chloride - CAS 589-17-3
Catalog: |
BB030206 |
Product Name: |
4-Bromobenzyl chloride |
CAS: |
589-17-3 |
Synonyms: |
1-bromo-4-(chloromethyl)benzene |
IUPAC Name: | 1-bromo-4-(chloromethyl)benzene |
Description: | 4-Bromobenzyl chloride (CAS# 589-17-3) is a useful research chemical. |
Molecular Weight: | 205.48 |
Molecular Formula: | C7H6BrCl |
Canonical SMILES: | C1=CC(=CC=C1CCl)Br |
InChI: | InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2 |
InChI Key: | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
Boiling Point: | 136-139 °C (27 torr) |
Melting Point: | 36-40 °C |
Purity: | 95 % |
Density: | 1.541 g/cm3 |
Appearance: | Light yellow crystal powder to light yellow liqui |
MDL: | MFCD00040867 |
LogP: | 3.18790 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113336750-A | Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof | 20210531 |
CN-112645835-A | Preparation method of benzyloxyamine hydrochloride | 20201219 |
CN-111961045-A | Synthesis method of 1, 6-naphthyridine-4 (1H) -ketone compound | 20200807 |
CN-111848467-A | Preparation method of asymmetric organic persulfate compound | 20200707 |
CN-111848467-B | Preparation method of asymmetric organic persulfate compound | 20200707 |
PMID | Publication Date | Title | Journal |
22091018 | 20110801 | 2-(Pyridin-2-yl-amino)-pyridinium thio-cyanate acetonitrile monosolvate | Acta crystallographica. Section E, Structure reports online |
21837061 | 20110701 | 4-Bromobenzoyl 4-bromobenzoate monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.93414 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.93414 |
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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