Sodium methanethiolate (HCID 4378561)

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

極性表面積: 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: 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)
EPAの化学物質情報: Methanethiol, sodium salt (5188-07-8)

化学的性質

化学的特性Very faint yellowish red clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 2 件

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 · 1 件

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.

Hazard Classes and CategoriesFlam. Liq. 3 (18.8%)；Flam. Sol. 2 (63.8%)；Acute Tox. 3 (79.7%)；Skin Corr. 1B (100%)；Eye Dam. 1 (20.3%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

法規制情報

Regulatory Information · 2 件

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

安全データ

F: 1-34-10-13
wgk: 3
tsca: TSCA listed
ridadr: UN 3263 8/PG 3
hs_code: 29309090
risk_code: 31-34-20/21/22-11-35-25-10
化審法: (2)-2446
消防法: 危-4-2-III
hazard_code: C,F
safety_code: 26-36/37/39-45-16
hazard_class: 4.3
packing_group: II
Hazard Classifications: Acute Tox. 3 OralFlam. Sol. 1Skin Corr. 1A
ストレージクラス: 4.1B - Flammable solid hazardous materials

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 · 3 件

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 · 1 件

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.]

上流・下流製品情報

上流原料

二硫化炭素メタノール水酸化ナトリウム

下流製品

2-アミノエチルメチルスルホン塩酸塩 2,4-ビス(エチルアミノ)-6-メチルチオ-1,3,5-トリアジン 2-メチルチオ-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジン 2-(メチルチオ)エタノール 2-(メチルチオ)ピラジン 5-(メチルチオ)チオフェン-2-カルボキシアルデヒドメチル2-チエニルスルフィド 2-エチルアミノ-4-イソプロピルアミノ-6-メチルチオ-1,3,5-トリアジンメチルチオアセトアルデヒドオキシム 5-(メチルスルホニル)チオフェン-2-カルボン酸 (メチルスルホニル)酢酸エチル 4-(メチルチオ)ブタン-2-オン

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メチルメルカプタンナトリウム

基本情報