Grundinformationen
- Standard-SMILES
C[S+](C)C.[Br-]- InChIKey
GOTIICCWNAPLMN-UHFFFAOYSA-M- Summenformel
- C3H9BrS
- Durchschnittliche Molmasse
- 157,08 g/mol
- Monoisotopische Masse
- 155,96083
Namen und Bezeichner
- Bevorzugter Name
- Sulfonium, trimethyl-, bromide (1:1)
- IUPAC
- trimethylsulfanium bromide
- Englischer Name
- Trimethylsulfonium bromide
- Summenformel
- C3H9S.Br
- Molmasse
- 157.07
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3084-53-5- PubChem CID
- 2735154
- DTXSID
DTXSID90883945- UNII
- J59NCR7385
- EC Number
- 678-448-7
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 8
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 203 °C · 203°C
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wasserlöslichkeit
- very faint turbidity
- BRN
- 3556022 · 3556022
- InChI
- InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
- InChIKey
- GOTIICCWNAPLMN-UHFFFAOYSA-M
- SMILES
- C[S+](C)C.[Br-]
- CAS Datenbank
- 3084 · 3084-53-5(CAS DataBase Reference)
- EPA chemische Informationen
- Sulfonium, trimethyl-, bromide (3084-53-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.;There are 5 notifications provided by 46 of 47 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.
Gefahrenhinweise
Regulatory Information
Sulfonium, trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfonium, trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34299
Regulatorische Informationen
Regulatory Information
Sulfonium, trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfonium, trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34299
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Sulfonium, trimethyl-, bromide (1:1): ACTIVE
Anwendungen
VerwendenTrimethylsulfonium bromide is an important pharmaceutical intermediate and chemical raw material for the preparation of methylcobalamin and epoxy resins. Methylcobalamin is the active form of vitamin B12 and is used to treat peripheral neuropathy, diabetic neuropathy, and amyotrophic lateral sclerosis.
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