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methyl trifluoromethanesulphonate

CAS 333-27-7C2H3F3O3SMW 164.11

methyl trifluoromethanesulphonate (CAS 333-27-7) — formula C2H3F3O3S, molecular weight 164.11; category organic chemicals.

Specifications

CAS Number333-27-7
Molecular FormulaC2H3F3O3S
Molecular Weight164.11
Boiling Point201 to 210 °F at 760 mmHg (NTP, 1992)
LogP0.9
CategoryOrganic Chemicals

Purchase Profile

What this product is

methyl trifluoromethanesulphonate is a carbon-based organic compound with CAS registry number 333-27-7 and molecular formula C2H3F3O3S (molecular weight 164.11), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 333-27-7

Its molecular formula C2H3F3O3S comprises 2 C, 3 H, 3 F, 3 O, 1 S atoms.

Also known as: methyl trifluoromethanesulphonate · 三氟甲磺酸甲酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of methyl trifluoromethanesulphonate?

The CAS registry number of methyl trifluoromethanesulphonate is 333-27-7.

What is the molecular formula and molecular weight of methyl trifluoromethanesulphonate?

Molecular formula C2H3F3O3S, molecular weight 164.11.

What other names is methyl trifluoromethanesulphonate known by?

It is also registered under: methyl trifluoromethanesulphonate, 三氟甲磺酸甲酯.

Which category does methyl trifluoromethanesulphonate belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for methyl trifluoromethanesulphonate (CAS 333-27-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH226 (100%), H314 (96.8%)

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H314 (96.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Physical description and handling notes

  • Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.
  • Brown liquid; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
  • Insoluble (NTP, 1992)
  • 1.45 at 68 °F (NTP, 1992) - Denser than water; will sink

Reported physical properties

沸点201 to 210 °F at 760 mmHg (NTP, 1992)
闪点101 °F (NTP, 1992)
密度1.45 @25 °C

How this substance is indexed

CAS Registry Number333-27-7
PubChem CID9526
分子式C2H3F3O3S
IUPAC 名称methyl trifluoromethanesulfonate
UNII（FDA）7B25Z22EPV

Documented uses

  • Used as a reagent for the methylation of sugars; [NTP]
  • Methanesulfonic acid, 1,1,1-trifluoro-, methyl ester: ACTIVE

Names this substance appears under

Methyl trifluoromethanesulfonate; 333-27-7; Methyl triflate; Methyl trifluoromethanesulphonate; Methanesulfonic acid, trifluoro-, methyl ester; DTXSID6049272; 7B25Z22EPV; NSC-270679; DTXCID1029128; Trifluoromethanesulfonic acid, methyl ester; RefChem:158046; 206-371-7; Trifluoromethanesulfonic Acid Methyl Ester; Methyl trifluoromethane sulfonate; C2H3F3O3S; MeOTf

Computed molecular descriptors

分子量164.11
XLogP30.9
氢键供体数0
氢键受体数6
可旋转键数1
精确质量163.97549961
单同位素质量163.97549961
拓扑极性表面积51.8
重原子数9
形式电荷0

Database abstract

methyl trifluoromethanesulphonate · CAS 333-27-7 · C2H3F3O3S. UNII 7B25Z22EPV. 沸点: 201 to 210 °F at 760 mmHg (NTP, 1992); 闪点: 101 °F (NTP, 1992); 密度: 1.45 @25 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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