(2-Bromoethyl)benzene - CAS 103-63-9
Catalog: |
BB001189 |
Product Name: |
(2-Bromoethyl)benzene |
CAS: |
103-63-9 |
Synonyms: |
2-bromoethylbenzene |
IUPAC Name: | 2-bromoethylbenzene |
Description: | (2-Bromoethyl)benzene (CAS# 103-63-9) is used in the synthesis of sulforaphane derivatives used as potential antitumor agents. As well, used in the synthesis of 1,2-benzisothiazol-3-one derivatives as potent CASpase-3-inhibitors. |
Molecular Weight: | 185.06 |
Molecular Formula: | C8H9Br |
Canonical SMILES: | C1=CC=C(C=C1)CCBr |
InChI: | InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | WMPPDTMATNBGJN-UHFFFAOYSA-N |
Boiling Point: | 220-221 ℃ |
Melting Point: | -56 ℃ |
Purity: | 95 % |
Density: | 1.355 g/cm3 |
Appearance: | Colourless to yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000240 |
LogP: | 2.62400 |
Vapor Pressure: | 0.24 [mmHg] |
GHS Hazard Statement: | H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292634-A | Mu/delta opioid receptor dual agonist and medical application thereof | 20210623 |
CN-113292484-A | 3- (4-methylpiperidine-1-yl) -3-benzylurea compound and analogue, preparation method and application thereof | 20210604 |
CN-113292515-A | Urea compound containing piperazine group and preparation method and application thereof | 20210604 |
CN-113354621-A | Pyridine group-containing 1-substituted benzyl-3-aryl urea compound and preparation method and application thereof | 20210604 |
US-2021212320-A1 | Fruit thinning method with 1-aminocyclopropane carboxylic acid | 20210330 |
PMID | Publication Date | Title | Journal |
22969604 | 20120901 | 1-{[Dimeth-yl(phen-yl)sil-yl]meth-yl}-3-(2-phenyl-eth-yl)-1H-benzimidazol-3-ium bromide monohydrate | Acta crystallographica. Section E, Structure reports online |
22058941 | 20110901 | 2-Phenyl-ethyl 1-thio-β-d-galactopyran-oside hemihydrate | Acta crystallographica. Section E, Structure reports online |
20856855 | 20100914 | A novel histone deacetylase inhibitor exhibits antitumor activity via apoptosis induction, F-actin disruption and gene acetylation in lung cancer | PloS one |
20238107 | 20100501 | Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA | Analytical and bioanalytical chemistry |
20221537 | 20100328 | Synthesis, characterization and catalytic function of a B12-hyperbranched polymer | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 65 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.98876 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.98876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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