Basic information
- CAS
1270-98-0- Standard SMILES
[Cl][Ti+]([Cl])[Cl].c1cc[cH-]c1- InChIKey
QOXHZZQZTIGPEV-UHFFFAOYSA-K- Molecular formula
- C5H5Cl3Ti
- Average molar mass
- 219.31 g/mol
- Monoisotopic mass
- 217.893624
Names & identifiers
- Preferred name
- Monocyclopentadienyltitanium trichloride
- IUPAC
- cyclopenta-1,3-diene;trichlorotitanium(1+)
- English name
- Cyclopentadienyltitanium trichloride
- Molecular formula
- C5H5Cl3Ti5*
- Molecular weight
- 219.32
Names & synonyms
Trichloro-pi-cyclopentadienyltitaniumBPJ2QGJ6ZFTitanium, trichlorocyclopentadienyl-pi-Cyclopentadienyltrichlorotitanium(IV)Titanium(IV), pi-cyclopentadienyltrichloro-Titanium, trichloro(eta5-2,4-cyclopentadien-1-yl)-Monocyclopentadienyltitanium trichlorideNSC 332761Titanium, trichloro(eta(sup 5)-2,4-cyclopentadien-1-yl)-RefChem:819286TrichloropicyclopentadienyltitaniumTitanium, trichlorocyclopentadienyl
Show more names
CpTiCl3titanium(IV) trichLCyclopentadienyltrichlorotitaniumtrichlorocyclopentadienyl-titaniuTrichloro(cyclopentadienyl)titaniumCyclopentadiene titanium trichlorideTrichloro(cyclopentyldienyl)titaniumCyclopentadienyltitanium trichloridetrichloro-pi-cyclopentadienyl-titaniu
piCyclopentadienyltrichlorotitanium(IV)Titanium(IV), picyclopentadienyltrichloroTitanium, trichlorocyclopentadienyl (7CI)Titanium, trichlorocyclopentadienyl-(7CI)Titanium, trichloro(eta52,4cyclopentadien1yl)Cyclopentadienyltitanium(IV) trichloride (6CI)Titanium, trichloro(eta(sup 5)2,4cyclopentadien1yl)(Cyclopentadienyl)titanium trichloride
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 19.6
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Compounds, Metal Salts
Physical DescriptionYellow or orange powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 210 °C · 210 °C (dec.) (lit.)
- refractive index
- 1.47 · 1.47
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- Crystalline
- color
- Yellow-orange
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- InChI
- 1S/C5H5.3ClH.Ti/c1-2-4-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
- InChIKey
- AENCLWKVWIIOQH-UHFFFAOYSA-K
- SMILES
- Cl[Ti](Cl)Cl.[CH]1[CH][CH][CH][CH]1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryParenteral LD50 (mouse) = 130 mg/kg; [RTECS] Reacts with water producing hydrochloric acid; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Titanium trichloride.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- No
- rtecs
- XR1927300
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29310099
- Toxicity
- mouse,LD50,parenteral,130mg/kg (130mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 347, 1984.
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemistry & industry
Applications
UsesPrecursor for cyclopentadienyltitanium(IV) complexes, and used as catalysts for alkene polymerizations.
Suppliers71 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
1 records
Compound notes
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