メチルメルカプタンナトリウム
Sodium methanethiolate
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基本情報
- CAS
5188-07-8- 標準SMILES
C[S-].[Na+]- InChIKey
RMBAVIFYHOYIFM-UHFFFAOYSA-M- 分子式
- CH3NaS
- 平均分子量
- 70.09 g/mol
- 単同位体質量
- 69.98531555
名称と識別子
- 優先名称
- Sodium methanethiolate
- IUPAC
- sodium methanethiolate
- 現地名
- メチルメルカプタンナトリウム
- 英語名
- Sodium thiomethoxide
- 分子式
- CH3NaS
- 分子量
- 70.09
名称と別名
Sodium methanethiolate5188-07-8Sodium thiomethylateLB29JWW8H7RefChem:887680225-969-9Sodium thiomethoxideMethanethiol sodium saltMethyl mercaptan sodium saltsodium;methanethiolateCCRIS 9102Methanethiol, sodium salt (1:1)
名称をさらに表示
メチルメルカプタンナトリウム (約15%水溶液)メチルチオナトリウムメタンチオールナトリウム塩(メチルチオ)ナトリウムナトリウムメチルチオラートソジオチオメタンナトリウムメタンチオラートメチルメルカプタンナトリウム塩メチルメルカプタン·ナトリウム塩水溶液ナトリウム メチル メルカプチドチオメチル酸ナトリウムナトリウム メタンチオラートナトリウム チオメトキシドナトリウムチオメトキシド (約15%水溶液)ナトリウムメタンチオラート (約15%水溶液)メタンチオールナトリウム (約15%水溶液)ナトリウムメチルスルフィドナトリウムメタンチオラート (〜20% IN WATER)ナトリウムメタンチオラート (14.5-16.5% IN WATER)ナトリウム=メタンチオラート(ABT.50%)NaSMeSodium methylthiolatethioformateSODIUM METHYLMERCAPTANSodium methanethiolSODIUM THIOMETHOXIDE, 21 VOL. % SOLN IN WATER, A PRODUCT OF ELF ATOCHEM (SMM)
EINECS 225-969-9MFCD00174316UNII-LB29JWW8H7Sodium Methanethiolate (95%)Sodium Methanethiolate (95per cent)sodium methyl mercaptideEC 225-969-9sodiumthiomethoxide
データベース識別子
- CAS
5188-07-8- PubChem CID
- 4378561
- DTXSID
DTXSID7027592- UNII
- LB29JWW8H7
- EC Number
- 225-969-9
- Nikkaji
- J60.721E
物性
構造計算による物性補完中
- 極性表面積
- 1 Ų
- 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
- 3
- 形式電荷
- 0
- 複雑度
- 4
実験および物理化学的性質
Vapor Pressure0.00000108 [mmHg]
Physical DescriptionColorless liquid; [EPA ChAMP: Submission] Light brown solid; [Sigma-Aldrich MSDS] Strong offensive odor;
物理化学的性質
- 比重(密度)
- 1.12 · 1.12[at 20℃]
- 蒸気圧
- 29 hPa · 29hPa at 25℃
- 闪点
- 27 °C · 27°C
- 貯蔵温度
- Air and moisture sensitive. Store under inert gas. Sensitive to carbon dioxide Exposure to moisture.
- 溶解性
- soluble in Water
- 外見
- 粉
- 色
- ホワイトからオフホワイト
- 水溶解度
- 溶ける
- Merck
- 14 · 14,5956
- BRN
- 3592983 · 3592983
- InChI
- InChI=1S/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1
- InChIKey
- RMBAVIFYHOYIFM-UHFFFAOYSA-M
- SMILES
- CS[Na]
- LogP
- -2.33 at · -2.33 at 20℃
- CAS データベース
- 5188 · 5188-07-8(CAS DataBase Reference)
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
Danger
H226 (18.8%): Flammable liquid and vapor [Warning Flammable liquids]；H228 (63.8%): Flammable solid [Danger Flammable solids]；H301 (79.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (20.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 7 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
Status: Active Update: 08-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/10183；Status: Active Update: 02-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31705
Methanethiol, sodium salt: HSNO Approval: HSR007148 Approved with controls
Hazards Summary
Changes of the blood, spleen (hematopoiesis and hemosiderosis), and liver (hematopoiesis) observed in oral study of rats at 45 mg/kg/day; No evidence of reproductive or developmental toxicity; [EPA - TSCATS] A severe skin irritant; Causes somnolence, dyspnea, and other gastrointestinal changes in oral lethal-dose studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion; [Sigma-Aldrich MSDS] Reacts with water evolving methanethiol gas; [Alfa Aesar MSDS] See Methyl mercaptan.
化学と産業
用途と製造
UsesUsed to make large scale and fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationMethanethiol, sodium salt (1:1): ACTIVE
応用分野
用途コマーシャル プラスチックス添加剤。
説明Sodium methanethiolate or sodium thiomethoxide (CH3SNa, MeSNa) is the sodium conjugate base of methanethiol. This compound is commercially available as a white solid. Sodium Methanethiolate is used as a nucleophile in organic synthesis. This compound is also being used as a reagent to synthesize thiol-based suberoylanilide hydroxamic acid (SAHA) analogues, compounds that act as potent histone deacetylase inhibitors. It reacts with trifluoroacetic acid and water to produce the active form of sodium trifluoroacetate. The reaction mechanism is likely due to the formation of a bicyclic heterocycle that has been shown to be effective against a number of bacteria.
使用Sodium thiomethoxide is a strong nucleophile used for the synthesis of methyl aryl sulfides from halo-arenes. Alkanethiolates are efficient reagents for SN2 dealkylation of esters and aryl ethers.
調製方法
純化方法Dissolve the salt (10g) in EtOH (10mL) and add Et2O (100mL). Cool and collect the precipitate, wash it with Et2O and dry it in a vacuum. It is a white powder which is very soluble in EtOH and H2O. [Billmann & Jensen Bull Soc Chim Fr 3 2318 1936, Beilstein 1 III 1212.]
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