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

名称と識別子

優先名称: Chlorotitanium triisopropoxide
IUPAC: tris(propan-2-olate);titanium(4+);chloride
現地名: 塩化チタントリイソプロポキシド
英語名: Chlorotitanium triisopropoxide
分子式: C9H21ClO3Ti
分子量: 260.58

名称と別名

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

名称をさらに表示

塩化チタントリイソプロポキシドトリイソプロポキシドクロロチタンクロロトリイソプロポキシチタン(IV)クロロトリイソプロポキシチタン(IV) 溶液CTTTITANIUM CHLORIDE TRIISOPROPOXIDECHLOROTIISOPROPOXYTITANIUMCHLOROTRIISOPROPYLOXYTITANEorotriisopropoxytitanium(IV)CHLOROTITANIUM TRIISOPROPYLATE

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 69.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 10

物理化学的性質

融点: 35 · 35-40 °C
沸点: 63 · 63-66°C 0,1mm
比重(密度): 1.091 g/mL · 1.091 g/mL at 25 °C (lit.)
闪点: 72 °F · 72 °F
貯蔵温度: Flammables area
溶解性: 2 O, · sol most nonprotic organic solvents, e.g. Et2O, THF, CH2Cl2, toluene, hexanes
外見: 液体
比重: 1.091 · 1.091
色: 淡黄色に融合した固体
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 データベース: 20717 · 20717-86-6(CAS DataBase Reference)
EPAの化学物質情報: Titanium, chlorotris(2-propanolato)-, (T-4)- (20717-86-6)

化学的性質

化学的特性Colorless to yellow liquid or low melting solid,

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

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
Hazard Classifications: Flam. Sol. 1Skin Corr. 1B
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

用途と製造

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

応用分野 · 1 件

使用Chlorotriisopropoxytitanium(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.

調製方法 · 1 件

純化方法When distilled under vacuum, the distillate sets slowly to a solid on standing. Stock reagents are made by dissolving the warm liquid in pentane, toluene, Et2O, THF, CH2Cl2,, and can be stored in a pure state or in solution under dry N2 for several months. The reagent is hygroscopic and is hydrolysed by H2O. [Reetz et al. Chem Ber 118 1421 1985.]