安息香酸リチウム
Lithium Benzoate
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基本情報
- CAS
553-54-8- 標準SMILES
O=C([O-])c1ccccc1.[Li+]- InChIKey
LDJNSLOKTFFLSL-UHFFFAOYSA-M- 分子式
- C7H5LiO2
- 平均分子量
- 128.1 g/mol
- 単同位体質量
- 128.04495783
名称と識別子
- 優先名称
- Lithium Benzoate
- IUPAC
- lithium benzoate
- 現地名
- 安息香酸リチウム
- 英語名
- Lithium benzoate
- 分子式
- C7H5LiO2
- 分子量
- 128.05
名称と別名
LITHIUM BENZOATE553-54-8Benzoic acid, lithium saltLithium benzoate [NF]EINECS 209-042-6LITHIUM BENZOICUMR9Z042Z19ELITHIUM BENZOATE [MI]DTXSID4044957LITHIUM BENZOICUM [HPUS]LITHIUM BENZOATE [MART.]LITHIUM BENZOATE [WHO-DD]
名称をさらに表示
安息香酸リチウムリチウム安息香酸安息香酸リチウム, 99+%リチオ ベンゾアートBenzoic acid lithiumLithiumbenzoatithium benzoatelithium(1+) benzoateLITHIUM BENZOATE PURELithium benzoate, 99+%LITHIUM BENZOATE REAGENTLithuM benzoate anhydrousLithiumbenzoatewhitepowder
Benzoic acid, lithium salt (1:1)LITHIUM BENZOATE (MART.)RefChem:799490DTXCID2024957209-042-6lithium;benzoateBenzoic acid lithium saltlithiumbenzoate
データベース識別子
- CAS
553-54-8- PubChem CID
- 2724073
- DTXSID
DTXSID4044957- UNII
- R9Z042Z19E
- EC Number
- 209-042-6
- Nikkaji
- J36.645E
物性
構造計算による物性補完中
- 極性表面積
- 40.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 108
実験および物理化学的性質
Physical DescriptionWhite solid; [Merck Index] White crystalline powder; Odorless; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 300 °C · >300 °C (lit.)
- 沸点
- 372 ℃[at · 372℃[at 101 325 Pa]
- 比重(密度)
- 1.35 · 1.35[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- 2 · 2-8°C, sealed storage, away from moisture
- 外見
- 粉
- 色
- 白い
- 水溶解度
- 33 g/100mL · 33g/100mL(25℃)
- Merck
- 14 · 14,5523
- BRN
- 3598089 · 3598089
- InChI
- InChI=1S/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
- InChIKey
- LDJNSLOKTFFLSL-UHFFFAOYSA-M
- SMILES
- C1(C([O-])=O)=CC=CC=C1.[Li+]
- LogP
- -2.27 at · -2.27 at 20℃
- CAS データベース
- 553 · 553-54-8(CAS DataBase Reference)
- EPAの化学物質情報
- Benzoic acid, lithium salt (553-54-8)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (2 of 170) of reports.
Danger
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (38.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (38.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 170 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 170 reports by companies.；There are 3 notifications provided by 168 of 170 reports by companies with hazard statement code(s).；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
Chemical: Benzoic acid, lithium salt
Status: Active Update: 06-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21975
Benzoic acid, lithium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzoic acid, lithium salt: Human health tier I assessment
Hazards SummaryMay cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See Benzoic acid. See Lithium.
Hazard Classes and CategoriesAcute Tox. 4 (98.8%)；Skin Irrit. 2 (38.2%)；Eye Dam. 1 (38.2%)
化学と産業
用途と製造
UsesHas been used as a lubricant (pharmaceutical aid); [Merck Index]
General Manufacturing InformationBenzoic acid, lithium salt (1:1): ACTIVE
応用分野
使用Lithium benzoate has been used as a lubricant for compressing tablets.
調製方法
純化方法Crystallise it from EtOH (13mL/g) by partial evaporation. [Beilstein 9 I 107, 9 IV 279.]
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
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