3-Phenyl-1-indanone
Names
[ CAS No. ]:
16618-72-7
[ Name ]:
3-Phenyl-1-indanone
[Synonym ]:
1H-Inden-1-one, 2,3-dihydro-3-phenyl-
3-Phenyl-1-indanone
3-phenyl-2,3-dihydroinden-1-one
3-phenylindan-1-one
MFCD00037722
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
331.0±32.0 °C at 760 mmHg
[ Melting Point ]:
76-78ºC
[ Molecular Formula ]:
C15H12O
[ Molecular Weight ]:
208.255
[ Flash Point ]:
142.3±20.1 °C
[ Exact Mass ]:
208.088821
[ PSA ]:
17.07000
[ LogP ]:
3.46
[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C
[ Index of Refraction ]:
1.621
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NK7538200
- CHEMICAL NAME :
- 1-Indanone, 3-phenyl-
- CAS REGISTRY NUMBER :
- 16618-72-7
- BEILSTEIN REFERENCE NO. :
- 1370263
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C15-H12-O
- MOLECULAR WEIGHT :
- 208.27
- WISWESSER LINE NOTATION :
- L56 BVT&J DR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 22,1464,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02960
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn: Harmful;
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
S22-S36/37
[ RIDADR ]:
NONH for all modes of transport
[ RTECS ]:
NK7538200
[ HS Code ]:
2914399090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2914399090
[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Articles
Tetrahedron 69(7) , 1877-80, (2013)
Thermolysis of substituted indenes. Sigmatropic phenyl and hydrogen migrations. Miller LL and Boyer RF.
J. Am. Chem. Soc. 93(3) , 650-56, (1971)
Koltunov KY.
Tetrahedron Lett. 48(32) , 5631-34, (2007)