• ChemBase ID: 78257
• Molecular Formular: C10Cl2Ti
• Molecular Mass: 238.88
• Monoisotopic Mass: 237.88565166
• SMILES: [Ti](Cl)Cl.[C]1[C][C][C][C]1.[C]1[C][C][C][C]1
• Canonical SMILES: [C]1[C][C][C][C]1.[C]1[C][C][C][C]1.Cl[Ti]Cl
• InChI: InChI=1S/2C5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h;;2*1H;/q;;;;+2/p-2
• InChIKey: KLXZZLLHLMHTJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• Synonyms: Titanocene dichloride; Bis(cyclopentadienyl)titanium(IV) chloride

Database IDs

• CAS Number: 1271-19-8
• MDL Number: MFCD00003723
• PubChem SID: 162043042
• PubChem CID: 71299275

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.18461
• LogD (pH = 7.4): 1.18461
• Log P: 1.18461
• Molar Refractivity: 21.4085 cm^3
• Polarizability: 6.4681635 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 260-280(dec.)°C
• Density: 1.600

Safety Information

• Storage Warning: Corrosive/Harmful/Carcinogenic/Teratogenic/Mutagenic/Moisture Sensitive/Store under Argon