2-Bromomethyl-1,3-dioxolane - CAS 4360-63-8
Catalog: |
BB025430 |
Product Name: |
2-Bromomethyl-1,3-dioxolane |
CAS: |
4360-63-8 |
Synonyms: |
2-(bromomethyl)-1,3-dioxolane |
IUPAC Name: | 2-(bromomethyl)-1,3-dioxolane |
Description: | 2-Bromomethyl-1,3-dioxolane (CAS# 4360-63-8) is used as a reagent in the synthesis of 1H-pyrrolo[2,3-c]pyridines which can serve as acid pump antagonists (APAs). |
Molecular Weight: | 167.00 |
Molecular Formula: | C4H7BrO2 |
Canonical SMILES: | C1COC(O1)CBr |
InChI: | InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2 |
InChI Key: | CKIIJIDEWWXQEA-UHFFFAOYSA-N |
Boiling Point: | 80-82 ℃ (27 mmHg) |
Density: | 1.613 g/cm3 |
MDL: | MFCD00003214 |
LogP: | 0.75420 |
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-213493154-U | Preparation facilities of doxofylline bulk drug | 20200830 |
RU-2749722-C1 | Method for obtaining quaternary ammonium salt with antitumor action | 20200715 |
CN-111423363-A | 1/10 water chlorpheniramine maleate compound and pharmaceutical composition thereof | 20200423 |
CN-111233864-A | Novel method for simply, conveniently and industrially producing doxofylline in green | 20200307 |
CN-111233864-B | Method for industrially producing doxofylline | 20200307 |
Complexity: | 51.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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