CAS 1907-33-1 2-Propanol, 2-methyl-, lithium salt (1:1) (HCID 23664764)

基本情報

CAS: 1907-33-1
標準SMILES: CC(C)(C)[O-].[Li+]
InChIKey: LZWQNOHZMQIFBX-UHFFFAOYSA-N
分子式: C4H9LiO
平均分子量: 80.1 g/mol
単同位体質量: 80.08134334

名称と識別子

優先名称: 2-Propanol, 2-methyl-, lithium salt (1:1)
IUPAC: lithium 2-methylpropan-2-olate
現地名: リチウムtert-ブトキシド
英語名: Lithium tert-butoxide
分子式: C4H9LiO
分子量: 80.05

名称と別名

1907-33-1Lithium 2-methylpropan-2-olatetert-ButoxylithiumLithium tert-butylateLithium tert-butanolatetert-Butyl alcohol, lithium salt2-Methyl-2-propanol lithium saltEINECS 217-611-52-Propanol, 2-methyl-, lithium salt2-Propanol, 2-methyl-, lithium salt (1:1)DTXSID9051828RefChem:265966

名称をさらに表示

リチウム1,1-ジメチルエタノラートリチウム=tert-ブトキシドtert-ブトキシリチウムリチウム1,1-ジメチルエトキシドリチウムtert-ブトキシドリチウム2-メチル-2-プロパノラートリチウム tブトキサイドリチウムTERT-ブトキシド,テトラヒドロフラン溶液リチウム tert-ブトキシド (約10%テトラヒドロフラン溶液, 約1mol/L)リチウムTERT‐ブトキシドリチウムTERT‐ブトキシド,テトラヒドロフラン溶液,2.2MOL/L1.0MOL/L リチウムT-ブトキシド・テトラヒドロフラン溶液リチウム TERT-ブトキシド, 99.9% (METALS BASIS)リチウムTERT-ブトキシド溶液易熱性エンテロトキシンBサブユニット(LTB) 大腸菌由来リチウムt-ブトキシド, 98+%リチウムｔｅｒｔ-ブトキシド,テトラヒドロフラン溶液,2.2mol/LLTBLithium tertiary butoxideithium tert-butoxideLithium 2-methyl-2-propanolateTNFCTNFSF3400173-25G

DTXCID4030384217-611-5Lithium tert-butoxidelithium;2-methylpropan-2-olatelithium t-butoxideMFCD00050479(tert-butoxy)lithiumlithium tbutoxide

データベース識別子

CAS: 1907-33-1
PubChem CID: 23664764
DTXSID: DTXSID9051828
EC Number: 217-611-5
Nikkaji: J199.728I

物性

構造計算による物性

極性表面積: 23.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 29

物理化学的性質

融点: °C
沸点: 68 · 68-70 °C
比重(密度): 0.89 g/mL · 0.89 g/mL at 20 °C
闪点: 2 °F · −2 °F
貯蔵温度: 2 · 2-8°C
溶解性: トルエン、ヘキサン、テトラヒドロフラン、メチルtert-ブチルエーテルに可溶。
外見: 液体
色: 茶色
比重: 0.89 · 0.89
水溶解度: 激しい反応
BRN: 3620018 · 3620018
InChI: 1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKey: LZWQNOHZMQIFBX-UHFFFAOYSA-N
SMILES: [Li+].CC(C)(C)[O-]
CAS データベース: 1907 · 1907-33-1(CAS DataBase Reference)
EPAの化学物質情報: Lithium tert-butoxide (1907-33-1)

化学的性質 · 1 件

化学的特性Lithium tert-Butoxide [1907-33-1], LiOC (CH3)3, Mr 80.06, r 0.89 g/cm3, mp 283 ℃ is a colorless compound with good solubility in many organic solvents (e.g. 16 % in hexane). It is commercially available as min. 98 % powder and as a 20 % solution in THF. In organic synthesis it serves as a strong base. As one of the few volatile lithium compounds, it sublimes without decomposition at 110 ℃ in vacuum, and is therefore a suitable raw material for lithium doping in CVD processes.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H228 (39.5%): Flammable solid [Danger Flammable solids]；H251 (60.5%): Self-heating; may catch fire [Danger Self-heating substances and mixtures]；H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (11.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P235, P240, P241, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 8 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 InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18552

Hazard Classes and CategoriesFlam. Sol. 2 (39.5%)；Self-heat. 1 (60.5%)；Acute Tox. 4 (93%)；Skin Corr. 1B (100%)；Eye Dam. 1 (11.6%)

法規制情報

Regulatory InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18552

安全データ

F: 3-10
wgk: 3

化学と産業

用途と製造

General Manufacturing Information2-Propanol, 2-methyl-, lithium salt (1:1): ACTIVE

応用分野 · 1 件

使用Lithium tert-butoxide is a mild base used in organic synthesis. It is involved in the alfa-alkylation reaction of ketones with primary alcohols. It is utilized as a catalyst in the reduction of ketones to the corresponding secondary alcohols. It acts as lithium source utilized in the preparation of LixTiyOz thin films. Further, it is used in conjunction with organometallic reagents/catalysts to modify their reactivity and selectivity.