4,7-Difluoroindan-1-one - CAS 130408-16-1
Catalog: |
BB054640 |
Product Name: |
4,7-Difluoroindan-1-one |
CAS: |
130408-16-1 |
Synonyms: |
4,7-difluoro-2,3-dihydro-1H-inden-1-one; 1H-Inden-1-one, 4,7-difluoro-2,3-dihydro- |
IUPAC Name: | 4,7-difluoro-2,3-dihydroinden-1-one |
Molecular Weight: | 168.14 |
Molecular Formula: | C9H6F2O |
Canonical SMILES: | C1CC(=O)C2=C(C=CC(=C21)F)F |
InChI: | InChI=1S/C9H6F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2 |
InChI Key: | KMWBFTTYYGUTNW-UHFFFAOYSA-N |
Boiling Point: | 254.7±40.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.362±0.06 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.03867113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.03867113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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