2-chloro-3-(trifluoromethyl)benzaldehyde

2-chloro-3-(trifluoromethyl)benzaldehyde - Names and Identifiers

Name	2-chloro-3-(trifluoromethyl)benzaldehyde
Synonyms	TIMTEC-BB SBB003469 2-Fluoro-4-hydroxybenzonitrile 2-Chloro-3-Trifluoromethylbenzaldehyde 2-Choro-3-(trifluoroMethyl)benzaldehyde 2-chloro-3-(trifluoromethyl)benzaldehyde 2-CHLORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE Benzaldehyde, 2-chloro-3-(trifluoromethyl)-
CAS	93118-03-7
InChI	InChI=1/C8H4ClF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H

2-chloro-3-(trifluoromethyl)benzaldehyde - Physico-chemical Properties

Molecular Formula	C8H4ClF3O
Molar Mass	208.57
Density	1.423±0.06 g/cm3(Predicted)
Melting Point	37-43 °C (lit.)
Boling Point	216.6±35.0 °C(Predicted)
Flash Point	>230°F
Vapor Presure	0.139mmHg at 25°C
Appearance	Crystals or Powder
Color	White to off-white
BRN	3543607
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C
Sensitive	Air Sensitive
Refractive Index	1.496

2-chloro-3-(trifluoromethyl)benzaldehyde - 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
HS Code	29122900
Hazard Class	IRRITANT

2-chloro-3-(trifluoromethyl)benzaldehyde - Reference Information

Use

2-chloro-3-(trifluoromethyl) benzaldehyde can be used as an organic synthesis intermediate, It can be prepared by the reaction of 2-trifluoromethylchlorobenzene and n-butyl lithium, and can be used to prepare a pharmaceutical intermediate (2-chloro-3-trifluoromethylbenzyl) cyclopropylamine.

preparation

-70 ℃, add BuLi(1.6M hexane solution, 173 ml, 277 mmol) to THF(500 ml) solution containing 2-trifluoromethyl-chlorobenzene (50.0g, 277 mmol). The solution was stirred at -70 ℃ for 2 hours, and DMF(21.3 ml, 277 mmol) THF(100 ml) solution was added. Make the mixture back to room temperature overnight. Add water (200 ml) and the mixture is extracted by Et2O (2x). The combined organic extract is dehydrated by magnesium sulfate, filtered and reduced pressure to remove the solvent. The residue was purified by column chromatography (heptane/EtOAc20: 1) to produce the title compound 2-chloro-3-(trifluoromethyl) benzaldehyde (37.4g, 65%). LC-MS:tR = 0.96 minutes.

Last Update：2024-04-09 21:04:16