1691-93-6

1691-93-6 - Names and Identifiers

Name	3-methyl-1-phenyl-4-trifluoroacetyl-2-pyrazolin-5-one
Synonyms	TIMTEC-BB SBB010020 4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE 3-METHYL-1-PHENYL-4-TRIFLUOROACETYL-5-PYRAZOLONE 3-METHYL-1-PHENYL-4-TRIFLUOROACETYL-2-PYRAZOLIN-5-ONE 5-HYDROXY-3-METHYL-1-PHENYL-4-TRIFLUOROACETYLPYRAZOLE 3-methyl-1-phenyl-4-trifluoroacetyl-2-pyrazolin-5-one 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one 5-METHYL-2-PHENYL-4-(TRIFLUOROACETYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
CAS	1691-93-6
InChI	InChI=1/C12H9F3N2O2/c1-7-9(10(18)12(13,14)15)11(19)17(16-7)8-5-3-2-4-6-8/h2-6,16H,1H3

1691-93-6 - Physico-chemical Properties

Molecular Formula	C12H9F3N2O2
Molar Mass	270.21
Density	1.40±0.1 g/cm3(Predicted)
Melting Point	145-148°C
Boling Point	377.4±42.0 °C(Predicted)
Flash Point	130°C
Vapor Presure	0.00195mmHg at 25°C
Appearance	powder to crystal
Color	Light yellow to Yellow to Orange
BRN	5969762
pKa	2.87±0.70(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.525
MDL	MFCD00143378

1691-93-6 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3
FLUKA BRAND F CODES	10
HS Code	29332900

1691-93-6 - Introduction

The chemical formula is C12H8F3NO, which is an organic compound. The following is its nature, use, preparation and safety information:

Nature:
-Appearance: Colorless crystalline solid
-Melting Point: 73-75 ℃
-Boiling Point: 312-314 ℃
-Density: 1.32g/cm³
-Solubility: Can be dissolved in organic solvents, such as ethanol, dimethylformamide, etc.
-Stability: relatively stable at room temperature, but should avoid contact with strong oxidants

Use:
It is commonly used as a heterocyclic compound and is commonly used in organic synthesis, pharmaceutical research and other fields. It is used as an intermediate in organic synthesis and can be used to synthesize compounds containing pyrazolone structure, such as drugs, pesticides, etc.

Method:
The common method of preparation is obtained by oxidation, rearrangement, chlorination, dechlorination and other multi-step reactions of pyrazole and acetaldehyde.

Safety Information:
-It needs to be stored properly and avoid contact with organics and oxidants
-Take appropriate precautions during operation to avoid contact with skin, eyes or inhalation of dust
-In case of contact, flush immediately with plenty of water and seek medical assistance if necessary
-Observe relevant chemical safety regulations during handling and storage, and follow local laws and regulations

Last Update：2024-04-09 02:00:42