TIMTEC-BB SBB003831

TIMTEC-BB SBB003831 - Names and Identifiers

Name	2-Chloro-5-nitro-3-picoline
Synonyms	TIMTEC-BB SBB003831 2-Chloro-5-nitro-3-picoline 2-CHLORO-5-NITRO-3-PICOLINE 2-CHLORO-3-METHYL-5-NITROPYRIDINE 2-CHLORO-5-NITRO-3-METHYLPYRIDINE 2-Chloro-3-methyl-5-nitropyridine 2-CHLORO-5-NITRO-3-PICOLINE (2-CHLORO-3-METHYL-5-NITROPYRIDINE) 2-Chloro-3-methyl-5-nitropyridine 2-Chloro-5-nitro-3-picoline
CAS	22280-56-4
EINECS	244-889-5
InChI	InChI=1/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3

TIMTEC-BB SBB003831 - Physico-chemical Properties

Molecular Formula	C6H5ClN2O2
Molar Mass	172.57
Density	1.5610 (rough estimate)
Melting Point	45-50 °C
Boling Point	145 °C / 18mmHg
Flash Point	>110°C
Solubility	soluble in Methanol
Vapor Presure	0.00504mmHg at 25°C
Appearance	Light brown to creamy white crystals
Color	Light beige to cream
pKa	-3.61±0.10(Predicted)
Storage Condition	2-8°C
Sensitive	Hygroscopic
Refractive Index	1.5500 (estimate)
MDL	MFCD00173686

TIMTEC-BB SBB003831 - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R22 - Harmful if swallowed
Safety Description	S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection.
UN IDs	UN 2811 6.1 / PGIII
WGK Germany	3
HS Code	29333999
Hazard Class	IRRITANT

TIMTEC-BB SBB003831 - Reference Information

Use

2-chloro-3-methyl-5-nitropyridine is an organic intermediate that can be used to prepare mirtazapine impurity K.

synthesis method

POCl3(410ml) was slowly added to 3-methyl -5-nitropyridine -2-alcohol (75.0g,0.487mol) in a 4-neck, 3L round bottom flask while stirring [J.Org.Chem. 14,328-32(1949)] (the temperature is increased to 30°C) and the reaction mixture is heated at 85°C for 16 hours. Cool the solution and vacuum remove excess POCl3. The residue is poured on wet ice (4L beaker) while stirring and filtered to collect the precipitate and dried in air, then dried in a vacuum oven to obtain 2-chloro-3-methyl-5-nitropyridine (75.0g,89% yield), which is an off-white solid, which can be used in the next step without further purification: 1H
NMR(300MHz,CDCl3)δ9.04(d,J = 2.5Hz,1H),8.33(d,J = 2.2Hz,1H),2.50(s,3H).

Last Update：2024-04-09 02:00:07