| CAS Number | 11136-36-0 |
| Catalog Number | AG003OBT(AGN-PC-0P1YSX) |
| Chemical Name | Dichlorobis(pentamethylcyclopentadienyl)titanium |
| IUPAC Name | 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+);dichloride |
| InChI | InChI=1S/2C10H15.2ClH.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2 |
| InChI Key | ZBFBXTFQCKIUHU-UHFFFAOYSA-L |
| MDL Number | MFCD00049153 |
| Molecular Formula | C20H30Cl2Ti |
| Molecular Weight | 389.2252 |
| SMILES | [Cl-][Ti+4]12345678([Cl-])([C]9(=[C]4([C-]3([C]2(=[C]19C)C)C)C)C)[C-]1([C]5(=[C]6([C]7(=[C]81C)C)C)C)C |
| Synonyms | 11136-36-0,
BIS(PENTAMETHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE,
ACMC-20alm1,
SCHEMBL396674,
CTK0H4126,
AKOS025294090,
VZ35844,
TC-167680,
BIS(PENTAMETHYLCYCLOPENTADIENYL) TITANIUM DICHLORIDE,
Bis(pentamethylcyclopentadienyl)titaniumdichloride,
Titanium, dichlorobis[(1,2,3,4,5-.eta.)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.227g/mol |
| Monoisotopic Mass | 388.12g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
8
|
|
Hazard statements
|
H302+H312+H332-H315-H319-H335
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number