Acetylferrocene
Names
[ CAS No. ]:
1271-55-2
[ Name ]:
Acetylferrocene
[Synonym ]:
acetyl-ferrocen
1-ACETYLFERROCENE
EINECS 215-043-2
Monacetylferrocene
Acetylferrocene
Acetoferrocene
ferrocenyl methyl ketone
Iron(2+) 2,4-cyclopentadienide 1-(2,4-cyclopentadien-1-ylidene)ethanolate (1:1:1)
1-Ferrocenylethanone
MFCD00001432
Ferrocene, acetyl-
Monoacetylferrocene
Ferrocene,acetyl
Chemical & Physical Properties
[ Boiling Point ]:
160-163 °C (3.0004 mmHg)
[ Melting Point ]:
81-83 °C(lit.)
[ Molecular Formula ]:
C12H12FeO
[ Molecular Weight ]:
228.068
[ Flash Point ]:
160-163°C/4mm
[ Exact Mass ]:
228.023758
[ PSA ]:
17.07000
[ LogP ]:
1.99970
[ Vapour Pressure ]:
1.77mmHg at 25°C
[ Index of Refraction ]:
1.502
[ Stability ]:
Stable. Incompatible with strong oxidizing agents, reducing agents, strong acids, strong bases.
[ Water Solubility ]:
insoluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OB3700000
- CHEMICAL NAME :
- Ketone, ferrocenyl methyl
- CAS REGISTRY NUMBER :
- 1271-55-2
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C12-H12-Fe-O
- MOLECULAR WEIGHT :
- 228.09
- WISWESSER LINE NOTATION :
- L5OJ O-FE-- OL5OJ AV1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570920
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-1285-0578
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570920
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Vascular - regional or general arteriolar or venous dilation
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570920
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Gastrointestinal - changes in structure or function of salivary glands Skin and Appendages - hair
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570920
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 75 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#08812
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Ocular
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 38,103,1987
Safety Information
[ Hazard Codes ]:
T+
[ Risk Phrases ]:
R28
[ Safety Phrases ]:
S28-S36/37-S45-S28A-S1
[ RIDADR ]:
UN 2811 6.1/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
OB3700000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
[ HS Code ]:
29310095
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2914299000
[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%