CAS 20717-86-6 Chlorotitanium triisopropoxide (HCID 3084342)

Names & identifiers

Preferred name: Chlorotitanium triisopropoxide
IUPAC: tris(propan-2-olate);titanium(4+);chloride
English name: Chlorotitanium triisopropoxide
Molecular formula: C9H21ClO3Ti
Molecular weight: 260.58

Names & synonyms

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

Show more names

CTTTITANIUM CHLORIDE TRIISOPROPOXIDECHLOROTIISOPROPOXYTITANIUMCHLOROTRIISOPROPYLOXYTITANEorotriisopropoxytitanium(IV)CHLOROTITANIUM TRIISOPROPYLATE

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 69.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 10

Physicochemical properties

Melting point: 35 · 35-40 °C
Boiling point: 63 · 63-66°C 0,1mm
Density: 1.091 g/mL · 1.091 g/mL at 25 °C (lit.)
Flash point: 72 °F · 72 °F
storage temp.: Flammables area
solubility: 2 O, · sol most nonprotic organic solvents, e.g. Et2O, THF, CH2Cl2, toluene, hexanes
form: liquid
Specific Gravity: 1.091 · 1.091
color: fused solid to pale yellow
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
Sensitive: Moisture Sensitive
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 DataBase Reference: 20717 · 20717-86-6(CAS DataBase Reference)
FDA UNII: 1 IT56N129 · W1IT56N129
EPA Substance Registry System: Titanium, chlorotris(2-propanolato)-, (T-4)- (20717-86-6)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 228 · H228-H314
Precautionary statements: 210 · P210-P240-P260-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,F,N
Risk Statements: 10 · 10-34-23/24/25-11-67-65-62-51/53-48/20
Safety Statements: 26 · 26-36/37/39-45-27-16-62-61
RIDADR: 2924 · UN 2924 3/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-21
TSCA: TSCA listed
HazardClass: 4.1 · 4.1
PackingGroup: II
HS Code: 29051990 · 29051990
Storage Class: 4.1 B · 4.1B - Flammable solid hazardous materials
Hazard Classifications: 1 Skin · Flam. Sol. 1Skin Corr. 1B
Limited Quantities: 1 Kg · 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Regulatory information

Regulatory Information · 3 items

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

Safety data

F: 3-10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C,F,N
safety_code: 26-36/37/39-45-27-16-62-61
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: II
Hazard statements: H228-H314
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Sol. 1Skin Corr. 1B
Precautionary statements: P210-P240-P260-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications · 1 item

UsesChlorotriisopropoxytitanium(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.