Basic information
- CAS
2171-98-4- Standard SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]- InChIKey
ZGSOBQAJAUGRBK-UHFFFAOYSA-N- Molecular formula
- C12H28O4Zr
- Average molar mass
- 327.57 g/mol
- Monoisotopic mass
- 326.103458
Names & identifiers
- Preferred name
- Zirconium(4+) propan-2-olate
- IUPAC
- tetrakis(propan-2-olate);zirconium(4+)
- English name
- Zirconium(IV) isopropoxide isopropanol complex
- Molecular formula
- C15H36O5Zr
- Molecular weight
- 387.67
Names & synonyms
Zirconium(4+) propan-2-olate2171-98-4EINECS 218-522-4DTXSID30176101RefChem:196153DTXCID6098592UN3178Zirconium isopropanolate, isopropanol adductZirconium (IV) ipropoxide (isopropanol adduct) (99.9%Zr)218-522-4propan-2-olate;zirconium(4+)zirconium tetraisopropoxide
Show more names
ZIRCONIUM I-PROPOXIDEZIRCONIUM ISOPROPOXIDEZIRCONIUM ISO-PROPYLATETetraisopropoxyzirconiumTETRA ISOPROPYL ZIRCONATEZirconium(4+) propan-2-oLZirconium (IV)-i-propoxide
zirconium(IV) isopropoxidezirconium(1V) isopropoxideSCHEMBL1326332-Propanol, zirconium(4+) saltZirconium(4+) tetrapropan-2-olateMFCD00078045AKOS015904518NS00083566
Database identifiers
- CAS
2171-98-4- PubChem CID
- 3083750
- DTXSID
DTXSID30176101- EC Number
- 218-522-4
Properties
Computed structural properties
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 10
Experimental & physicochemical properties
Physical DescriptionWhite crystals; [MSDSonline]
Physicochemical properties
- Boiling point
- 98 °C · 98°C
- Density
- 1 g/cm3 · 1 g/cm3
- Flash point
- -7 °C · -7°C (20°F)
- Specific Gravity
- 1 · 1.00
- CAS DataBase Reference
- 2171 · 2171-98-4(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228
- Precautionary statements
- 210 · P210-P240-P241-P280-P370+P378
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- TSCA
- No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryAn irritant; Absorbs moisture and releases isopropyl alcohol; [MSDSonline] See Isopropyl alcohol and Zirconium.
Hazard Classes and CategoriesFlam. Sol. 2 (100%)
Safety & protection
Exposure Control and Personal Protection1.0 [mg/m3], inhalable fraction (metal and insol. cmpds.)[German Research Foundation (DFG)]
Threshold Limit Values (TLV)
5.0 [mg/m3], as Zr
10.0 [mg/m3], as Zr
Permissible Exposure Limit (PEL)5.0 [mg/m3], as Zr (compounds)
Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as Zr
Safety data
- wgk
- 3
- tsca
- No
- ridadr
- 1993
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280-P370+P378
Chemistry & industry
Uses & manufacturing
UsesAvailable as mixture with 15% isopropyl alcohol; [MSDSonline]
Applications
UsesZirconium(IV) Isopropoxide Isopropanol Complex are efficient and good catalysts for the ring-opening polymerization of rac-lactides and ε-caprolactone as well as δ-valerolactone, rac-β-butyrolactone, ethylene and propylene.
UsesCondensation catalyst, cross-linking agent.
Suppliers15 total
湖北永阔科技有限公司027-59223108 15972152991 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
池州凯隆进出口贸易有限公司[email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Related reactions
15 records
Compound notes
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