Benzyl 3-bromopropyl ether - CAS 54314-84-0
Catalog: |
BB028597 |
Product Name: |
Benzyl 3-bromopropyl ether |
CAS: |
54314-84-0 |
Synonyms: |
3-bromopropoxymethylbenzene |
IUPAC Name: | 3-bromopropoxymethylbenzene |
Description: | Benzyl 3-bromopropyl ether (CAS# 54314-84-0) is a component in combustion improver in industrial fuel gas. It is also used in the synthesis of N-Heterocyclylphenylacetamide derivatives, to be used to treat diabetes and Fluoro-labelled Homoglutamic Acid derivatives, used for imaging or diagnosis proliferative disorders. |
Molecular Weight: | 229.11 |
Molecular Formula: | C10H13BrO |
Canonical SMILES: | C1=CC=C(C=C1)COCCCBr |
InChI: | InChI=1S/C10H13BrO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
InChI Key: | PSUXTZLDBVEZTD-UHFFFAOYSA-N |
Boiling Point: | 130-132 ℃ |
Purity: | 98 % |
Density: | 1.298 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00134570 |
LogP: | 2.98820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112645971-A | Method for directly preparing alkyl borate compound from alkyl halide | 20210120 |
WO-2021204896-A1 | Macrocyclic diamine derivatives as ent inhibitors for the treatment of cancers, and combination thereof with adenosine receptor antagonists | 20200407 |
WO-2021170774-A1 | New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them | 20200228 |
WO-2021174205-A1 | Prodrugs of neuroactive steroids | 20200227 |
JP-2021080183-A | New lysophosphatidic acid derivative | 20191114 |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.01498 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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