3',4'-Difluoroacetophenone - CAS 369-33-5
Catalog: |
BB023137 |
Product Name: |
3',4'-Difluoroacetophenone |
CAS: |
369-33-5 |
Synonyms: |
1-(3,4-difluorophenyl)ethanone |
IUPAC Name: | 1-(3,4-difluorophenyl)ethanone |
Description: | 3',4'-Difluoroacetophenone (CAS# 369-33-5) is a useful research chemical. |
Molecular Weight: | 156.13 |
Molecular Formula: | C8H6F2O |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)F)F |
InChI: | InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3 |
InChI Key: | VWJSSJFLXRMYNV-UHFFFAOYSA-N |
Boiling Point: | 94-95 °C (13 mmHg) |
Melting Point: | 19-20 °C |
Purity: | 95 % |
Density: | 1.246 g/cm3 |
Appearance: | Clear yellowish liquid after melting |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00009891 |
LogP: | 2.16740 |
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 |
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WO-2021085653-A1 | 4-aminobut-2-enamide derivatives and salts thereof | 20191031 |
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Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03867113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03867113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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