Chlorotitanium triisopropoxide

HCID 3084342

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Grundinformationen

CAS: 20717-86-6
Standard-SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4]
InChIKey: IFMWVBVPVXRZHE-UHFFFAOYSA-M
Summenformel: C9H21ClO3Ti
Durchschnittliche Molmasse: 260,58 g/mol
Monoisotopische Masse: 260,0658629

Namen und Bezeichner

Bevorzugter Name: Chlorotitanium triisopropoxide
IUPAC: tris(propan-2-olate);titanium(4+);chloride
Englischer Name: Chlorotitanium triisopropoxide
Summenformel: C9H21ClO3Ti
Molmasse: 260.58

Namen und Synonyme

Titanium, chlorotris(2-propanolato)-, (T-4)-ChlorotriisopropoxytitaniumW1IT56N129UNII-W1IT56N129CLTI(OI-PR)3triisopropoxytitanium chlorideTRIISOPROPOXYCHLOROTITANIUMTRIISOPROPOXYCYCLOCHLOROTITANIUMCHLOROTITANIUM TRIS(ISOPROPOXIDE)(T-4)-Chlorotris(2-propanolato)titaniumCHLOROTITANIUM TRIISOPROPOXIDE [MI]TITANIUM MONOCHLORIDE TRIISOPROPOXIDE

Weitere Namen anzeigen

CTTTITANIUM CHLORIDE TRIISOPROPOXIDECHLOROTIISOPROPOXYTITANIUMCHLOROTRIISOPROPYLOXYTITANEorotriisopropoxytitanium(IV)CHLOROTITANIUM TRIISOPROPYLATE

RefChem:125532Chlorotrisopropylorthotitanate20717-86-6CHLOROTITANIUM TRIISOPROPOXIDEIFMWVBVPVXRZHE-UHFFFAOYSA-MChlorotriisopropoxytitanium(IV)propan-2-olate;titanium(4+);chlorideC9H21ClO3Ti

Datenbank-Bezeichner

CAS: 20717-86-6
PubChem CID: 3084342
DTXSID: DTXSID10942927
UNII: W1IT56N129
EC Number: 679-414-4
Nikkaji: J728.887E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 69,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 10

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-40 °C
Siedepunkt: 63 · 63-66°C 0,1mm
Dichte: 1.091 g/mL · 1.091 g/mL at 25 °C (lit.)
Flammpunkt: 72 °F · 72 °F
storage temp.: Flammables area
Löslichkeit: 2 O, · sol most nonprotic organic solvents, e.g. Et2O, THF, CH2Cl2, toluene, hexanes
Aggregatzustand: liquid
Wichte: 1.091 · 1.091
Farbe: fused solid to pale yellow
BRN: 4163222 · 4163222
InChI: InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
InChIKey: IFMWVBVPVXRZHE-UHFFFAOYSA-M
SMILES: [Ti](Cl)(OC(C)C)(OC(C)C)OC(C)C
CAS Datenbank: 20717 · 20717-86-6(CAS DataBase Reference)
EPA chemische Informationen: Titanium, chlorotris(2-propanolato)-, (T-4)- (20717-86-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Titanium, chlorotris(2-propanolato)-, (T-4)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Chlorotriisopropyl orthotitanate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 1 (100%)；Skin Corr. 1B (97.8%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Titanium, chlorotris(2-propanolato)-, (T-4)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Chlorotriisopropyl orthotitanate: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 3-10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 29051990
risk_code: 10-34-23/24/25-11-67-65-62-51/53-48/20
hazard_code: C,F,N
safety_code: 26-36/37/39-45-27-16-62-61
hazard_class: 4.1
packing_group: II
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Flam. Sol. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationTitanium, chlorotris(2-propanolato)-, (T-4)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenChlorotriisopropoxytitanium(IV) solution may be used as a precursor for the synthesis of ultralow density ceramic materials. The product may be used to mediate a reductive amination reaction of 5α-cholestane-3,7-dione to yield aryl aminocholestanes.