1-Butyl-3-methylimidazolium Trifluoroacetate

Catalog Number

ACM174899946

Product Name

1-Butyl-3-methylimidazolium Trifluoroacetate

Structure

CAS

174899-94-6

Category

Heterocyclic Organic Compound

Synonyms

BMIMTFA

IUPAC Name

1-butyl-3-methylimidazol-3-ium;2,2,2-trifluoroacetate

Molecular Weight

252.24

Molecular Formula

C10H15F3N2O2

Canonical SMILES

CCCCN1C=C[N+](=C1)C.C(=O)(C(F)(F)F)[O-]

InChI

1S/C8H15N2.C2HF3O2/c1-3-4-5-10-7-6-9(2)8-10;3-2(4,5)1(6)7/h6-8H,3-5H2,1-2H3;(H,6,7)/q+1;/p-1

InChI Key

QPDGLRRWSBZCHP-UHFFFAOYSA-M

Melting Point

41 °C

Appearance

Light yellow to Yellow to Orange clear liquid

Application

1-Butyl-3-methylimidazolium trifluoroacetate is useful for chemical synthesis

Storage

Store under inert gas

Chemical Formula

[C4MIm]TfAc

Complexity

171

Condition To Avoid

Hygroscopic

Covalently-Bonded Unit Count

2

Exact Mass

252.108562g/mol

Formal Charge

0

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

5

H-Bond Donor

0

Heavy Atom Count

17

MDL Number

MFCD08458921

Monoisotopic Mass

252.108562g/mol

NSC Number

746782

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.44

Rotatable Bond Count

3

Signal Word

Warning

SpecificGravity

1.21

MSDS

COA

Spec Sheet