3-(Trifluoromethyl)pyrazine-2-carboxylic acid

Basic Information

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CAS Number

870787-06-7

Molecular Formula

C6H3F3N2O2

Molecular Weight

192.1 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

Boiling Point

271.3±40.0℃ (760 Torr)

Density

1.575±0.06 g/cm3 (20 ºC 760 Torr)

Flash Point

117.9±27.3℃

SMILES

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C1=CN=C(C(=N1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)10-1-2-11-4/h1-2H,(H,12,13)

InChIKey

ZHOIMHWVXJSOBX-UHFFFAOYSA-N

LogP

1.1936

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

207

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

3-(Trifluoromethyl)pyrazine-2-carboxylic acid
Pyrazinecarboxylic acid, 3-(trifluoromethyl)-
2-Trifluoromethylpyrazine-3-carboxylic acid
3-Trifluoromethyl-pyrazine-2-carboxylic acid
ZHOIMHWVXJSOBX-UHFFFAOYSA-N
3733AC
FCH1226070
AX8217183
3-trifluoromethylpyrazine-2-carboxylic acid
3-Trifluoromethyl-2-pyrazine carboxylic acid
3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOX
3-(trifluoromethyl)pyrazine-2-carboxylic acid
CS-0097637
DB-347748
DTXSID40705527
3-(Trifluoromethyl)pyrazine-2-carboxylicacid
870787-06-7
AKOS016005990
SCHEMBL630383
SY121485
EN300-129771
F12197
MFCD20646033
DS-15443

MDL Number

MFCD20646033

FAQ

What is 3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7)?

3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7) is an organic compound with the molecular formula C6H3F3N2O2. It has an aromatic ring with a trifluoromethyl group attached to a pyrazine ring, and a carboxylic acid functional group. This compound exhibits unique chemical properties due to the trifluoromethyl substituent, which influences its reactivity and solubility characteristics.

What are the main uses of 3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7)?

3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7) is primarily used in research as a precursor for the synthesis of other organic compounds. It also finds applications in the pharmaceutical industry for its potential use in developing new drugs, particularly in the fields of antimicrobial and antiviral research. Additionally, it is utilized in the formulation of certain food additives due to its aromatic and bitter taste characteristics.

Is 3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7) safe?

3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7) may pose some safety hazards due to its chemical structure and reactivity. It is important to handle it with appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure good ventilation in the work area and avoid inhalation of fumes or contact with skin and eyes. Storage should be in a cool, dry place away from direct sunlight and flammable materials.

How should 3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7) be stored?

3-(Trifluoromethyl)pyrazine-2-carboxylic acid (CAS: 870787-06-7) should be stored in a cool, dry place with a temperature between 0°C and 25°C. Maintain a relative humidity below 60% to prevent moisture absorption, which could affect its stability. Store in a tightly sealed container, preferably a glass or metal container, to protect it from atmospheric moisture and light. Avoid exposure to direct sunlight and store away from incompatible materials such as strong acids, bases, and reducing agents.