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

이름 및 식별자

우선 이름: 2-Propanol, 2-methyl-, lithium salt (1:1)
IUPAC: lithium 2-methylpropan-2-olate
영어명: Lithium tert-butoxide
분자식: C4H9LiO
분자량: 80.05

이름 및 동의어

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

이름 더 보기

LTBLithium tertiary butoxideithium tert-butoxideLithium 2-methyl-2-propanolateTNFCTNFSF3400173-25G

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 23.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 29

물리화학적 성질

녹는점: °C
끓는 점: 68 · 68-70 °C
밀도: 0.89 g/mL · 0.89 g/mL at 20 °C
인화점: 2 °F · −2 °F
저장 조건: 2 · 2-8°C
용해도: 톨루엔, 헥산, 테트라히드로푸란 및 메틸 tert-부틸 에테르에 용해됩니다.
물리적 상태: 액체
색상: 갈색
Specific Gravity: 0.89 · 0.89
수용성: 격렬한 반응
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-]
EPA: Lithium tert-butoxide (1907-33-1)

화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UB8520000
ridadr: UN 3206 4.2/PG 2
HS 번호: 29051990
risk_code: 11-19-34-37-35-14-67-65-62-51/53-48/20-40-52/53-36/37/38-25
hazard_code: F,C,N,T
safety_code: 26-36/37/39-45-61-62-6A-43E-16-7/8-43-33
포장분류: III
위험 등급: 4.2
기존화학 물질: KE-22579
F 고인화성물질: 3-10
Hazard Classifications: Acute Tox. 4 OralSelf-heat. 1Skin Corr. 1B
스토리지 클래스: 4.2 - Pyrophoric and self-heating hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

용도Lithium 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.