Grundinformationen
- Standard-SMILES
C[S-].[Na+]- InChIKey
RMBAVIFYHOYIFM-UHFFFAOYSA-M- Summenformel
- CH3NaS
- Durchschnittliche Molmasse
- 70,09 g/mol
- Monoisotopische Masse
- 69,98531555
Namen und Bezeichner
- Bevorzugter Name
- Sodium methanethiolate
- IUPAC
- sodium methanethiolate
- Lokaler Name
- Natriummethanthiolat
- Englischer Name
- Sodium thiomethoxide
- Summenformel
- CH3NaS
- Molmasse
- 70.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5188-07-8- PubChem CID
- 4378561
- DTXSID
DTXSID7027592- UNII
- LB29JWW8H7
- EC Number
- 225-969-9
- Nikkaji
- J60.721E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 3
- Formalladung
- 0
- Komplexität
- 4
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Dichte
- 1.12 · 1.12[at 20℃]
- Dampfdruck
- 29 hPa · 29hPa at 25℃
- Flammpunkt
- 27 °C · 27°C
- storage temp.
- Air and moisture sensitive. Store under inert gas. Sensitive to carbon dioxide Exposure to moisture.
- Löslichkeit
- soluble in Water
- Aggregatzustand
- Powder
- Farbe
- White to off-white
- Wasserlöslichkeit
- soluble
- 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 Datenbank
- 5188 · 5188-07-8(CAS DataBase Reference)
- EPA chemische Informationen
- Methanethiol, sodium salt (5188-07-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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.
Toxikologische Informationen
Regulatorische Informationen
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
Sicherheitsdaten
- 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
- hazard_code
- C,F
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 4.3
- packing_group
- II
- Speicherklasse
- 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- Acute Tox. 3 OralFlam. Sol. 1Skin Corr. 1A
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungSodium 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.
VerwendenSodium 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.
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