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Merck
CN

900666

Bruker standard solvent

suitable for MALDI-MS, 50% ACN + 47.5% H2O + 2.5% TFA

Synonym(s):

Trifluoroacetic acid solution, TFA in H2O/ACN, TFA

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About This Item

Linear Formula:
CF3COOH
CAS Number:
76-05-1
Molecular Weight:
114.02
NACRES:
NA.24
UNSPSC Code:
12352106
Beilstein/REAXYS Number:
5446934
MDL number:
MFCD00004169
Technique(s):
MALDI-MS: suitable
Application(s):
general analytical
Bp:
72.4 °C (lit.)
Vapor pressure:
97.5 mmHg

Key Documents

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Product Name

Bruker standard solvent, suitable for MALDI-MS, 50% ACN + 47.5% H2O + 2.5% TFA

SMILES string

OC(=O)C(F)(F)F

InChI key

DTQVDTLACAAQTR-UHFFFAOYSA-N

InChI

1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

vapor density

3.9 (vs air)

vapor pressure

97.5 mmHg

form

liquid

contains

2.5% trifluoroacetic acid
47.5% H2O
50% acetonitrile

technique(s)

MALDI-MS: suitable

bp

72.4 °C (lit.)

mp

-15 °C (lit.)

density

0.921 at 25 °C

cation traces

Ba: ≤5 ppm
Ca: ≤20 ppm
Cd: ≤5 ppm
Co: ≤5 ppm
Cr: ≤5 ppm
Cu: ≤5 ppm
Fe: ≤20 ppm
K: ≤20 ppm
Mg: ≤5 ppm
Mn: ≤5 ppm
Na: ≤20 ppm
Ni: ≤5 ppm
Pb: ≤5 ppm
Zn: ≤5 ppm

application(s)

general analytical

Quality Level

100

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Application

Bruker standard solvent can be used in sample preparation and calibration for matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS), ensuring accurate identification of pathogenic bacteria from clinical positive blood cultures.

Biochem/physiol Actions

Trifluoroacetic acid (TFA) is mainly preferred as an internal chemical shift referencing agent in 19F NMR.

General description

Trifluoroacetic acid (TFA) is a nonaqueous solvent. At room temperature, TFA has the ability to liquify native and regenerated celluloses.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

44.6 °F

flash_point_c

7 °C

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2549
SHBT1300
SHBT0729
SHBS8497
SHBS6334

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