研峰科技 Infinity Scientific

Ferrocene 二茂铁

规格: 99%

CAS: 102-54-5

产品编号: H48204

MDL: MFCD00001427

品牌: INFI

Chemical Name	Bis(Cyclopentadienyl)Iron
EC Number	203-039-3
Beilstein Registry Number	2384789
Synonym	Ferrocene {LY} Ferrocene {} {LY} Ferrocene {} {} {LY} Ferrocene {} {} {} {LY} Ferrocene {} {} {} {} {LY} Ferrocene {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	7611
Merck Number	4037
Chemical Name Translation	二茂铁
Wiswesser Line Notation	L50TJ 0-FE-- 0L50TJ
LabNetwork Molecule ID	LN01344276
InChI	InChI=1S/2C5H5.Fe/c21-2-4-5-3-1;/h21-5H;/q2*-1;+2
MDL Number	MFCD00001427
CAS Number	102-54-5
Canonical SMILES	[][Fe][].c1cccc1.c2cccc2

GHS Symbol

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
REFERENCE :
   NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the
   National Cancer Institute by The Institute of Chemical Biology, University
   of San Francisco.  (San Francisco, CA 94117)  Volume(issue)/page/year:
   PH43-64-886

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
REFERENCE :
   NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the
   National Cancer Institute by The Institute of Chemical Biology, University
   of San Francisco.  (San Francisco, CA 94117)  Volume(issue)/page/year:
   PH43-64-886

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
REFERENCE :
   NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the
   National Cancer Institute by The Institute of Chemical Biology, University
   of San Francisco.  (San Francisco, CA 94117)  Volume(issue)/page/year:
   PH43-64-886

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
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,5,1961

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
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#023

TYPE OF TEST            : Heritable translocation test
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 100 ppm
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,87,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5(Suppl
   1),3,1983

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 130 ug/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,1,1985

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 100 ppm
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,87,1985

Signal word	Danger Warning
WGK Germany	2
Safety Statements
S22 Do not breathe dust 不要吸入粉尘； S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书； S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见； S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护； S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置； S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染； S36 Wear suitable protective clothing 穿戴适当的防护服； S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性 R51/53 R22 Harmful if swallowed 吞咽有害 R11 Highly flammable 非常易燃
Precautionary statements
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P305+P351+P338 P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。 P332+P313 P501 Dispose of contents/container to..… 处理内容物/容器..... P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。 P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服 P301+P312+P330 P337+P313 P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。 P403+P233 P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。 P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。 P304+P340 P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
Hazard statements
H228 Flammable solid 易燃固体 H302 Harmful if swallowed 吞食有害 H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害 H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。 H302+H332 H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Personal Protective Equipment	Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECS	LK0700000
Packing Group	II
UN Number	UN1325 UN 1325 4.1/PG 2 1325
Storage condition	2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen Air & Moisture Sensitive Flammables area {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored und
Hazard Codes	F,Xn F;Xn;N F,Xn,N
Hazard Class	4.1

二茂铁是一种具有夹心结构的金属有机化合物。二茂铁及其衍生物因其本身的特点,如疏水性、生物可氧化性、芳香性、稳定性、低性、生物活性等,而被广泛应用。如作催化剂。汽油的抗爆添加剂。高温润滑剂。高温聚合物中间体。紫外光吸收剂。

{ALF} For Mannich reaction using tetramethylmethylenediamine as the source of the Mannich intermediate, see: Org. Synth. Coll., 5, 434 (1973).

{uni_hamburg} Short: II/25D

{uni_hamburg} Short: II/27C

{ALF} Promotes the Pschorr cyclization of stilbene derivatives in acetone to give phenanthrenes: J. Org. Chem., 60, 196 (1995).

{ALF} Readily undergoes electrophilic substitution reactions such as acylation, formylation, Mannich reaction, etc. For a review, see: Org. React., 17, 1 (1969).

{ALD} Merck:14,4037

{ALF} In combination with TFA anhydride, reduces sulfoxides to sulfides at room temperature: Chem. Lett., 400 (2000).

{ALF} Reacts with chlorobenzenes to give ferrocenium salts, which can be used to arylate diethyl malonate: Synth. Commun., 18, 291 (1988); J. Chem. Soc., Perkin 1, 469 (1989).

{ALD} Merck:14,4037

Beilstein: 16,IV,1783

化学属性

Density	1.49
Boiling Point	249 °C at 760 mmHg
Vapor Pressure	0.03 mmHg ( 40 °C)
TSCA	Yes
Solubility	难溶
Stability	对空气，湿度和热敏感
Flash Point	100°C
Mol. Formula	C10H10Fe
Mol. Weight	186.03
Appearance	orange xtl.
Melting Point	172-174 °C

*以上化合物性质及应用等信息仅供参考