Sulfoxonium, trimethyl-, iodide (1:1)

HCID 178946182CAS 23726-00-3
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Basic information

Standard SMILES
C[S+](C)(C)=O.[I-]
InChIKey
BPLKQGGAXWRFOE-UHFFFAOYSA-M
Molecular formula
C3H9IOS
Average molar mass
220.07 g/mol

Names & identifiers

Preferred name
Sulfoxonium, trimethyl-, iodide (1:1)
English name
Trimethylsulfoxonium-d9 Iodide
Molecular formula
C3H9IOS
Molecular weight
220.07

Names & synonyms

Trimethylsulfoxonium iodide1774-47-6Sulfoxonium, trimethyl-, iodide (1:1)S,S,S-Trimethylsulfoxonium iodideTrimethyl sulphoxonium ioidieEINECS 217-204-2NSC 71213Sulfonium, trimethyl-, iodide, oxidetrimethyl sulphoxonium iodideEC 217-204-2RefChem:186625Sulfoxonium, trimethyl, iodide
Show more names
ODXUOTDDDOWCET-PSSUZPBCSA-MTrimethylsulfoxonium-d9 Iodide[2H9]-Trimethylsulfoxonium Iodide[2H9]-trimethylsulphoxonium iodide1,1',1'-(Sulfinyl)tris(trideuteromethane) iodide
S,S,STrimethylsulfoxonium iodideSulfonium, trimethyl, iodide, oxideTrimethylsulphoxonium iodideTrimethyloxosulfonium iodideSulfoxonium, trimethyl-, iodideTrimethyloxosulphonium iodideMFCD00011899C3H9IOS

Database identifiers

CAS
23726-00-3
ChEMBL
CHEMBL283149
EC Number
217-204-2

Properties

Computed structural properties

Topological polar surface area
18.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

solubility
DMSO (Sparingly), Methanol (Sparingly), Water (Slightly)
form
Solid
color
White to Off-White

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.

Warning

H303 (17%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 08-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15834

Sulfoxonium, trimethyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Dimethyl sulfoxide. See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesAcute Tox. 5 (17%)

Safety & protection

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSulfoxonium, trimethyl-, iodide (1:1): ACTIVE

Applications

Uses(Trimethylsulfoxonium-d9 Iodide) Labelled Trimethylsulfoxonium Iodide (T797500). Used to synthesize methylene-transfer reagents that are used in the preparation of epoxides.

Upstream & downstream products

Downstream products

Suppliers9 total

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]

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