4-Bromo-2,2-difluoro-1,3-benzodioxole - CAS 144584-66-7
Catalog: |
BB009797 |
Product Name: |
4-Bromo-2,2-difluoro-1,3-benzodioxole |
CAS: |
144584-66-7 |
Synonyms: |
4-bromo-2,2-difluoro-1,3-benzodioxole |
IUPAC Name: | 4-bromo-2,2-difluoro-1,3-benzodioxole |
Description: | 4-Bromo-2,2-difluoro-1,3-benzodioxole (CAS# 144584-66-7) is a useful research chemical. |
Molecular Weight: | 237.00 |
Molecular Formula: | C7H3BrF2O2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)OC(O2)(F)F |
InChI: | InChI=1S/C7H3BrF2O2/c8-4-2-1-3-5-6(4)12-7(9,10)11-5/h1-3H |
InChI Key: | LSZYHXNOLVSZHH-UHFFFAOYSA-N |
Boiling Point: | 164.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.695 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD01631385 |
LogP: | 2.77060 |
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 |
US-2019381019-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
WO-2019243964-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
EP-3807266-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
KR-20210024548-A | Pyrazole derivatives as MALT1 inhibitors | 20180618 |
US-11040031-B2 | Pyrazole derivatives as MALT1 inhibitors | 20180618 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.92845 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92845 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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