TITANIUM(III) CHLORIDE-ALUMINUM(III) CHLORIDE structure

3D Mol Similar

TITANIUM(III) CHLORIDE-ALUMINUM(III) CHLORIDE

: CAS No.: 12003-13-3; Molecular Weight：114.33; Modify Date.: 2023-11-20 04:45; Introduction: Low-cost titanium is an effective reducing agent for the synthesis of imidazolines. View more+

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1. Names and Identifiers

: 1.1 Name; TITANIUM(III) CHLORIDE-ALUMINUM(III) CHLORIDE; 1.2 Synonyms; 234-421-8 aluminium trititanium dodecachloride EINECS 234-421-8 MFCD00083104 titanium aluminum chloride titanium(iii) chloride-aluminum chloride Titanium(III)chloridealuminium(III)chloride

1.3 CAS No.: 12003-13-3

1.4 CID: 156591911

1.5 EINECS(EC#): 234-421-8

1.6 Molecular Formula: AlClH4Ti (isomer)

1.7 Inchi: InChI=1S/Al.ClH.Ti/h;1H;

1.8 InChIkey: WVYPNTAHSRRLQM-UHFFFAOYSA-N

1.9 Canonical Smiles: [Al].Cl.[Ti]

1.10 Isomers Smiles: [Al].[Cl].[Ti]

2. Properties

2.1 Density: 0.74[at 20℃]

2.1 Boiling point: °Cat760mmHg

2.1 Flash Point: °C

2.1 Precise Quality: 590.45200

2.1 PSA: 0.00000

2.1 logP: 8.27400

2.1 Appearance: purple crystal

2.2 Storage: Moisture Sensitive. Air Sensitive. Store under Argon. Ambient temperatures.

2.3 Chemical Properties: Purple fuming powder TITANIUM(III) CHLORIDE-ALUMINUM(III) CHLORIDESupplier

2.4 Color/Form: purple

2.5 Water Solubility: Insoluble in water.

3. Safety and Handling

3.1 Symbol: GHS02;GHS05;GHS07;

3.1 Hazard Codes: F,C

3.1 Signal Word: DANGER

3.1 Risk Statements: 14-17-20/21/22-34

3.1 Safety Statements: 6-16-26-27-36/37/39-45

3.1 Packing Group: II

3.1 Hazard Class: 8

3.1 Hazard Declaration: H250; H302 + H312 + H332; H314

3.1 RIDADR: UN 3200 4.2/PG 1

3.1 Caution Statement: P222; P231; P280; P305 + P351 + P338; P310; P422

3.1 WGK Germany: 3

3.1 Safety: Hazard Codes F,CRisk Statements 14-17-20/21/22-34Safety Statements 6-16-26-27-36/37/39-45RIDADR UN 3200 4.2/PG 1 WGK Germany 3 HazardClass 8PackingGroup II

3.2 Sensitive: Air & Moisture Sensitive

3.3 Specification: Purple fuming powder
Safety Statements:6-16-26-27-36/37/39-45
6:Keep under ... (inert gas to be specified by the manufacturer)
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:Take off immediately all contaminated clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Pyrophoric solids, Category 1

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H250 Catches fire spontaneously if exposed to air H302 Harmful if swallowed H312 Harmful in contact with skin H314 Causes severe skin burns and eye damage H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P222 Do not allow contact with air. P231+P232 Handle and store contents under inert gas/.... Protect from moisture. P233 Keep container tightly closed. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages]. P370+P378 In case of fire: Use ... to extinguish. P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Other Information

5.0 Chemical Properties: Purple fuming powder

5.1 Usage: Titanium(III) chloride-Aluminum(III) chloride, TiCl{3} 76.0-78.5% is used as a catalyst in the production of polypropylene.

5.2 Flammability and Explosibility: Notclassified

6. Computational chemical data

Molecular Weight: 114.33g/mol
Molecular Formula: AlClH₄Ti
Compound Is Canonicalized: True
XLogP3-AA:
Exact Mass: 110.906157
Monoisotopic Mass: 110.906157
Complexity: 0
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 3
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADcQAAAAAEABIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==