20797-48-2

20797-48-2 - Names and Identifiers

Name	4-Chloro-3-nitrocinnamic acid
Synonyms	RARECHEM BK HW 0228 TIMTEC-BB SBB003306 4-CHLORO-3-NITROCINNAMIC ACID 4-Chloro-3-nitrocinnamic acid tert-4-Chloro-3-nitrocinnamic acid TRANS-4-CHLORO-3-NITROCINNAMIC ACID 3-(4-chloro-3-nitrophenyl)acrylic acid 3-(4-CHLORO-3-NITROPHENYL)ACRYLIC ACID (2E)-3-(4-Chloro-3-nitrophenyl)acrylic acid (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid 2-Propenoic acid, 3-(4-chloro-3-nitrophenyl)-, (2E)-
CAS	20797-48-2
EINECS	200-680-0
InChI	InChI=1/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/p-1/b4-2+
InChIKey	QBDALTIMHOITIU-DUXPYHPUSA-N

20797-48-2 - Physico-chemical Properties

Molecular Formula	C9H6ClNO4
Molar Mass	227.6
Density	1.4751 (rough estimate)
Melting Point	188-190°C(lit.)
Boling Point	408.6±35.0 °C(Predicted)
Flash Point	200.9°C
Vapor Presure	2.08E-07mmHg at 25°C
Appearance	Solid
Color	Light yellow to Brown
pKa	4.03±0.10(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.6000 (estimate)
MDL	MFCD00063311

20797-48-2 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29163990
Hazard Note	Irritant

20797-48-2 - Reference Information

application

4-chloro-3-nitrocinnamic acid can be used as an intermediate in organic synthesis and a pharmaceutical intermediate, mainly used in laboratory research and development processes and chemical and pharmaceutical production processes.

preparation

add newly steamed 4-chloro -3-nitrobenzaldehyde and acetic anhydride with a certain amount of substances to a 250mL dry three-neck flask, add a certain amount of catalyst, oscillate to make them mix evenly, install a thermometer and a condenser tube (the upper end is connected to a calcium chloride drying tube), stir magnetically at a certain temperature, and fully react for a certain time. After the reaction, the pH was adjusted to weakly alkaline with saturated Na2CO3 solution. Then steam is distilled with water until the distillate is free of oil beads, and a small amount of activated carbon is used to adsorb impurities to obtain colorless liquid, which is filtered while hot. The filtrate is adjusted to pH = 3~4 with hydrochloric acid. At this time, a large number of white crystals are precipitated. Let it stand for a period of time and then filter, wash the crystals with a small amount of water, and dry to obtain a crude 4-chloro-3-nitrocinnamic acid product. The crude product is recrystallized with a mixture of water and ethanol (volume ratio is 3:1) to obtain 4-Chloro-3-nitrocinnamic acid yellow crystal.

Last Update：2024-04-09 21:01:54