Basic information
- Name:
5-Fluoro-1-indanone
- CAS No.:
700-84-5
- Molecular Structure:
- Formula:
- C9H7FO
- Molecular Weight:
- 150.15
- Synonyms:
- 5-fluoro-2,3-dihydroinden-1-one;5-fIuoro-1-indonone;
- Density:
- 1.259 g/cm3
- Melting Point:
- 38-40 °C(lit.)
- Boiling Point:
- 247 °C at 760 mmHg
- Flash Point:
- 87.2 °C
- Solubility:
- insoluble in water
- Appearance:
- white to yellowish crystalline low melting solid
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 26-36 Details
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Chemistry
Molecule structure of 5-Fluoro-1-indanone (CAS NO.700-84-5):
IUPAC Name: 5-Fluoro-2,3-dihydroinden-1-one
Molecular Weight: 150.149683 g/mol
Molecular Formula: C9H7FO
Melting Point: 38-40 °C(lit.)
Boiling Point: 113-114 °C(lit.)
Density: 1.216 g/mL at 25 °C(lit.)
Flash point: >230 °F
Index of Refraction: 1.559
Molar Refractivity: 38.55 cm3
Molar Volume: 119.2 cm3
Storage Temp.: refrigerator
Water Solubility: insoluble
XLogP3-AA: 1.8
H-Bond Acceptor: 2
Tautomer Count: 2
Exact Mass: 150.048093
MonoIsotopic Mass: 150.048093
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)F
InChI: InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey: WVPPBVAMKNQXJA-UHFFFAOYSA-N
Product Categories: Indane/Indanone and Derivatives; indanone; Ketone; Fused Ring Systems; Halides; C9; Carbonyl Compounds; Ketones
Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
5-Fluoro-1-indanone (CAS NO.700-84-5) is also named as 1H-inden-1-one, 5-fluoro-2,3-dihydro- ; 5-Fluor-2,3-dihydro-1H-inden-1-on ; 5-Fluorindan-1-on ; 5-fluoro-2,3-dihydro-1H-inden-1-one ; 5-Fluoroindan-1-one ; 2,3-Dihydro-5-fluoro-1H-inden-1-one ; 4-Fluoroindan-1-one . 5-Fluoro-1-indanone (CAS NO.700-84-5) is white to yellowish crystalline low melting solid.
