FERROCENE

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Names

[ CAS No. ]:
102-54-5

[ Name ]:
FERROCENE

[Synonym ]:
Di(cyclopentadienyl)iron
dicyclopentadienyl
Dicyclopentadienyl Iron
Ferrotsen
Ferroceene
MFCD00001427
Bis(Cyclopentadienyl)Iron
FERROCEN
EINECS 203-039-3
catane
Ferrocene
Oxolan-3-ol

Chemical & Physical Properties

[ Density]:
1.49

[ Boiling Point ]:
249 °C(lit.)

[ Melting Point ]:
172-174 °C(lit.)

[ Molecular Formula ]:
C10H10Fe

[ Molecular Weight ]:
186.031

[ Flash Point ]:
100°C

[ Exact Mass ]:
186.013199

[ LogP ]:
2.04050

[ Vapour Pressure ]:
0.03 mm Hg ( 40 °C)

[ Index of Refraction ]:
1.4465 (20ºC)

[ Water Solubility ]:
practically insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LK0700000
CHEMICAL NAME :
Ferrocene
CAS REGISTRY NUMBER :
102-54-5
LAST UPDATED :
199712
DATA ITEMS CITED :
35
MOLECULAR FORMULA :
C10-H10-Fe
MOLECULAR WEIGHT :
186.05
WISWESSER LINE NOTATION :
L50TJ 0-FE-- 0L50TJ

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 :
1320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
832 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
335 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36 mg/m3/2W-I
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/m3/2W-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
54600 mg/kg/26W-I
TOXIC EFFECTS :
Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) Endocrine - other changes Nutritional and Gross Metabolic - changes in iron
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5175 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Heritable translocation test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 7,1,1985 *** REVIEWS *** ACGIH TLV-TWA 10 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 15 mg/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Gen Indu):8H TWA 5 mg/m3, respirable fraction CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 15 mg/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Construc):8H TWA 5 mg/m3, respirable fraction CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 15 mg/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Shipyard):8H TWA 5 mg/m3, respirable fraction CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 10 mg/m3 JAN 1993 OEL-BELGIUM:TWA 10 mg/m3 JAN 1993 OEL-FINLAND:TWA 10 mg/m3;STEL 20 mg/m3;Skin JAN 1993 OEL-FRANCE:TWA 10 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 10 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 10 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg/m3;STEL 20 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO DICYCLOPENTADIENYL IRON, total dust-air:TWA 10 mg/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO DICYCLOPENTADIENYL IRON-air:10H TWA 5 mg/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T2061 No. of Facilities: 14 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 412 (estimated) No. of Female Employees: 328 (estimated)

Safety Information

[ Hazard Codes ]:
F:Flammable

[ Risk Phrases ]:
R11;R22;R51/53

[ Safety Phrases ]:
S61-S22

[ RIDADR ]:
UN 1325 4.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
LK0700000

[ Hazard Class ]:
4.1

[ HS Code ]:
29310095

Synthetic Route

Precursor & DownStream

Precursor

  • Ferric chloride
  • cyclopenta-1,3-diene,iron(3+)
  • Cyclopentadiene
  • pentacarbonyliron
  • bis(1-cyclopenta-2,4-dienyl)-dimethyl-silane; cyclopenta-1,3-diene; iron
  • (Cp)iron(carbonyl){P(O(phenyl))3}{COC(CH2O(methyl))C(methyl)(phenyl)}

DownStream

  • alpha-(N,N-Dimethylamino)ethylferrocene
  • 1,1'-bis[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]ferrocene
  • Ferrocenecarboxaldehyde
  • 1,1'-FERROCENEDICARBOXALDEHYDE
  • Ferric chloride
  • Cyclopentadiene
  • Bis(pentamethylcyclopentadienyl)iron(II)
  • Acetylferrocene
  • 1,1'-Diacetylferrocene

Customs

[ HS Code ]: 2902199090

[ Summary ]:
2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%


Related Compounds

  • ferrocene
  • ferrocene-d10
  • Bromoferrocene
  • Butylferrocene
  • Cyanoferrocene
  • Acetoferrocene