2-氰基-5-硝基三氟甲苯

2-氰基-5-硝基三氟甲苯 - Names and Identifiers

Name	4-Nitro-2-(trifluoromethyl)benzonitrile
Synonyms	2-Cyano-5-nitrobenzotr 4-Nitro-2-(Trifluoromethyl)Ben 2-Cyano-5-nitrobenzotrifluoride 4-Nitro-2-trifluoromethylbenzotrile 2-Trifluoromethyl-4-Nitrobenzonitrile -Nitro-2-(trifluoromethyl)benzonitrile 4-Nitro-2-(trifluoromethyl)benzonitrile 2-Cyano-5-nitrobenzotrifluoride, 4-Cyano-3-(trifluoromethyl)nitrobenzene
CAS	320-47-8
EINECS	623-803-3
InChI	InChI=1/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H

2-氰基-5-硝基三氟甲苯 - Physico-chemical Properties

Molecular Formula	C8H3F3N2O2
Molar Mass	216.12
Density	1.49±0.1 g/cm3(Predicted)
Melting Point	49-53°C(lit.)
Boling Point	297.7±40.0 °C(Predicted)
Flash Point	>230°F
Vapor Presure	0.00132mmHg at 25°C
Appearance	powder to crystal
Color	White to Yellow to Green
BRN	2281014
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.498
MDL	MFCD01075729

2-氰基-5-硝基三氟甲苯 - Risk and Safety

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.
UN IDs	3276
WGK Germany	3
HS Code	29269090
Hazard Note	Harmful
Hazard Class	6.1
Packing Group	III

2-氰基-5-硝基三氟甲苯 - Reference Information

application

4-nitro-2-(trifluoromethyl) benzonitrile can be used as an intermediate in organic synthesis and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical generation process.

Preparation

At room temperature, add potassium cyanide to the anhydrous acetonitrile solution of 2-chloro-5-iodobenzene 4-nitro-2-(trifluoromethyl) aniline, heat the mixture at 60°C for 25 minutes, add saturated sodium thiosulfate aqueous solution (20

mL), and concentrate the mixture under reduced pressure, most of the acetonitrile was removed and the aqueous phase was extracted with ethyl acetate (4 × 10mL). The combined organic matter was dried with anhydrous magnesium sulfate. Filter and concentrate under reduced pressure to obtain solids. The solids are pre-added to the silica. The residue was purified by rapid column chromatography and eluted with 40g silica and 0-10% heptane solution with ethyl acetate. The fractions bearing the product were combined and evaporated to obtain the product 4-nitro-2-(trifluoromethyl) benzonitrile.

Last Update：2024-04-10 22:29:15