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Bis(cyclopentadienyl)titanium dichloride 双(环戊二烯基)二氯化钛

规格: 98%

CAS: 1271-19-8

产品编号: H44890

MDL: MFCD00003723

品牌: INFI

Chemical Name	Bis(cyclopentadienyl)titanium(IV) dichloride
Synonym	二氯双(η5-2,4-环戊二烯-1-基)钛 Dichlorotitanocene DI(CYCLOPENTADIENYL)TITANIUM(IV) DICHLORIDE bis(eta(5)-cyclopentadienyl)titaniumdichloride Bis(π-cyclopentadienyl)titanium dichloride Dichlorobis(1,3-cyclopentadiene)titanium b Dichlorobis(1,3-cyclopentadiene)titanium Dichlorodicyclopentadienyltitanium Dichlorotitanocene -Cyclopentadienyl) {Chemicalbook} Dichlorodi-pi-cyclopentadienyltitanium BIS(CYCLOPENTADIENYL)TITANIUM(IV) DICHLORIDE 双(环戊二烯基)二氯化钛(IV) (DICYCLOPE Titanium, dichlorobis[η⁵-2,4-cyclopentadien-1-yl]- BIS(CYCLOPENTADIENYL)TITANIUM DICHLORIDE dichlorobis( DICHLORODICYCLOPENTADIENYLTITANIUM Dichlorobis(cyclopentadienyl)titanium 双(环戊二烯基)二氯化钛，二氯双(η5-2 bis(η-cyclopentadienyl)-titaniumchloride
CAS Number	1271-19-8
EC Number	215-035-9
Beilstein Registry Number	2384789
MDL Number	MFCD00003723
Merck Number	9482
PubChem Substance ID	5284468
Chemical Name Translation	二氯二茂钛
Wiswesser Line Notation	L50J 0-TI-GG- 0L50J
LabNetwork Molecule ID	LN00235684
InChI	InChI=1S/2C5H5.2ClH.Ti/c21-2-4-5-3-1;;;/h21-3H,4H2;21H;/q2-1;;;+4/p-2

GHS Symbol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 720 mg/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Blood - lymphoma, including Hodgkin's disease
   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            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 900 mg/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Musculoskeletal - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   PWPSA8 Proceedings of the Western Pharmacology Society.  (Univ. of
   California Dept. of Pharmacology, Los Angeles, CA 90024)  V.1-    1958-
   Volume(issue)/page/year: 14,68,1971

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 430 mg/kg/81W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Blood - lymphoma, including Hodgkin's disease
   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 Franc

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 26 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - equivo

TYPE OF TEST            : TD - Toxic

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 25 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 - mouse
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - changes in motor activity (specific assay)
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       : 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#00774

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 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            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 2960 ug/L
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 67,1303,1981

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Fibroblast
DOSE/DURATION           : 800 ug/L
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 67,1303,1981

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 100 ug/L
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 67,1303,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 60 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 33,171,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 30 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 33,171,1984

Signal word
WGK Germany	3
Safety Statements
S36 Wear suitable protective clothing 穿戴适当的防护服； S6 Keep under ... (inert gas to be specified by the manufacturer) 将该物质保存在生产厂家指定的惰性气体中； S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）； S7/8 Keep container tightly closed and dry 保存在严格密闭容器中，保持干燥； 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；
Risk Statements
R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性 R34 Causes burns 会导致灼伤 R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害 R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用 R33 Danger of cumulative effects 有累积作用的危险 R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险 R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害 R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害 R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性 R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Precautionary statements
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。 P304+P340+P312 P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 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。 P305+P351+P338 P302+P352+P312+P362+P364 P501 Dispose of contents/container to..… 处理内容物/容器..... P305+P351+P338+P337+P313 P301+P312+P330 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。
RTECS	XR2050000
Storage condition	对空气和湿度敏感，密封保存。 Air & Moisture Sensitive
Packing Group	II
UN Number	UN3096 UN3261
Hazard Codes	Xi,T T;Xi Xi
Hazard statements
H315 Causes skin irritation 会刺激皮肤 H335 May cause respiratory irritation 可能导致呼吸道刺激 H302+H312+H332
Personal Protective Equipment	dust mask type N95 (US), Eyeshields, Gloves
Hazard Class	8

用于丁苯嵌段共聚物加氢，也用在苯甲醛和溴甲基丙烯酸合成α-γ-丁内酯。

{ALF} For use, in combination with Mg metal, in formation of titanocycle intermediates, see: J. Org. Chem., 63, 9285 (1998); for reaction scheme, see Triphosgene, A14932.

{ALF} Reacts with Grignard reagents with a ß-hydrogen atom (e.g. isobutyl or isopropyl) to form, in a catalytic cycle, a titanium hydride species, which reduces aldehydes, ketones and esters to alcohols: Tetrahedron Lett., 21, 2171, 2175 (1980). The same combination effects regioselective cis-hydromagnesation of alkynes to give alkenyl Grignard reagents: Tetrahedron Lett., 22, 85 (1981); J. Chem. Soc., Chem. Commun., 718 (1981). For application in a highly stereospecific synthesis of vinylsilanes in excellent yields, see: Tetrahedron Lett., 24, 1041 (1983):

{ALF} For further examples of the hydroxymagnesation of alkynes, see: Org. Synth. Coll., 8, 507 (1993). Similarly π-allyl complexes with 1,3-dienes can be generated, which react regio-and stereo-selectively with aldehydes to give homoallylic alcohols: J. Chem. Soc., Chem. Commun., 621 (1984):

{ALF} A similar reagent can be prepared by reaction with the Simmons-Smith adduct (see Diiodomethane, A15457) and used for the methylenation of ketones in excellent yields: Tetrahedron Lett., 24, 2043 (1983).

{ALD} Merck: 14,9482

Beilstein: 16,IV,1769

{uni_hamburg} Short: III/20b

{uni_hamburg} Short: III/35D5

{uni_hamburg} Short: III/10a

{ALF} In combination with trimethyaluminum, generates an ylide (Tebbe reagent): J. Am. Chem. Soc., 100, 3611 (1978), which transfers a methylene group not only to aldehydes and ketones (cf Wittig reaction) but also to the carbonyl groups of esters and lactones: J. Am. Chem. Soc., 102, 3270 (1980):

{ALD} Merck: 14,9482

1271-19-8 H44890 Bis(cyclopentadienyl)titanium dichloride
双(环戊二烯基)二氯化钛

化学属性

Mol. Formula	C10H10Cl2Ti
Mol. Weight	249.0
Density	1.6
Solubility	Slightly soluble in water
TSCA	Yes
Melting Point	289-291°C
Stability	对空气敏感，对湿度敏感
Appearance	red xtl.

*以上化合物性质及应用等信息仅供参考

电子化学品

催化剂

配体

有机硅

元素分类

其他精细新材料

Bis(cyclopentadienyl)titanium dichloride 双(环戊二烯基)二氯化钛

规格: 98%

化学属性

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