Pyridine trifluoroacetate (1:1)

Basic Information

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CAS Number

464-05-1

Molecular Formula

C7H6F3NO2

Molecular Weight

193.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

83-86 °C

Boiling Point

72.2 °C at 760 mmHg

Flash Point

102.7 °C

Solubility

water: soluble5%, clear, colorless

SMILES

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C1=CC=NC=C1.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C5H5N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)

InChIKey

NRTYMEPCRDJMPZ-UHFFFAOYSA-N

LogP

1.7149

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

114

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

pyridine; trifluoroacetic acid
SY102042
F19827
pyridine;2,2,2-trifluoroacetic acid
Pyridine trifluoroacetate, 98%
AKOS015891732
CS-0187622
Pyridinium trifluoroacetate
NSC-211755
DTXSID00196831
FT-0632171
Pyridine trifluoroacetate
NSC211755
Pyridine 2,2,2-trifluoroacetate
AM10013
AS-58545
NSC 211755
pyridine; 2,2,2-trifluoroacetic acid
EINECS 207-345-8
MFCD00013072
464-05-1
Pyridine 2,2,2-trifluoroacetic acid
pyridinium trifluoroacetate
Pyridine trifluoroacetate salt
pyridine, 2,2,2-trifluoroacetic acid
[PyH]CF3CO2
pyridine*TFA
pyridine.CF3CO2H
Trifluoroacetic acid pyridine salt

MDL Number

MFCD00013072

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Pyridine trifluoroacetate (1:1) (CAS: 464-05-1)?

Pyridine trifluoroacetate (CAS: 464-05-1) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a hazardous chemical. It is also subject to the European Union's REACH regulations, which require registration for substances above a certain tonnage threshold. Additionally, the U.S. EPA and FDA have specific requirements for the handling and use of this compound in the U.S., including labeling and environmental protection measures.

Are there alternatives to Pyridine trifluoroacetate (1:1) (CAS: 464-05-1) in synthesis?

Yes, there are alternatives to Pyridine trifluoroacetate (CAS: 464-05-1) in synthesis, such as other trifluoroacetic acid derivatives or other pyridine derivatives. These alternatives can serve similar functions in organic synthesis, but may have different reactivity and solubility properties, making them suitable for different applications.

What is the market or research trend for Pyridine trifluoroacetate (1:1) (CAS: 464-05-1)?

The market for Pyridine trifluoroacetate (CAS: 464-05-1) is driven by its use in the synthesis of various organic compounds, particularly in the pharmaceutical and fine chemical industries. Research trends are focusing on the development of more environmentally friendly and less toxic reagents. There is also growing interest in the application of this compound in green chemistry processes and as a key intermediate in drug synthesis.

How should waste containing Pyridine trifluoroacetate (1:1) (CAS: 464-05-1) be handled?

Waste containing Pyridine trifluoroacetate (CAS: 464-05-1) should be collected in appropriate containers and stored in a secure, well-ventilated area. It should be disposed of through incineration or by a professional waste disposal service that is capable of handling hazardous chemicals. Environmental protection measures should be taken to prevent contamination of soil and groundwater. Compliance with local environmental regulations is essential for proper disposal.