4-Chloro-3-nitrocinnamic acid Chemical Properties

Melting point:

188-190 °C(lit.)

Boiling point:

408.6±35.0 °C(Predicted)

Density 

1.4751 (rough estimate)

refractive index 

1.6000 (estimate)

storage temp. 

Storage temp. 2-8°C

pka

4.03±0.10(Predicted)

form 

powder to crystal

color 

Light yellow to Brown

InChI

InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)

InChIKey

QBDALTIMHOITIU-DUXPYHPUSA-N

SMILES

C(O)(=O)C=CC1=CC=C(Cl)C([N+]([O-])=O)=C1

CAS DataBase Reference

20797-48-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

24/25

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29163990

Storage Class

11 - Combustible Solids

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-Chloro-3-nitrocinnamic acid Usage And Synthesis

Chemical Properties

yellow crystalline powder

Uses

trans-4-Chloro-3-nitrocinnamic acid may be used in chemical synthesis.

Synthesis

In a 250mL dry three-necked flask add a certain material quantity ratio of freshly evaporated 4-chloro-3-nitrobenzaldehyde and acetic anhydride, and add a certain amount of catalyst, oscillate to make the mixture homogeneous, install a thermometer and a condenser tube (the upper end of which is connected to a calcium chloride drying tube), and stir it magnetically at a certain temperature for a certain period of time for a full reaction. At the end of the reaction, the pH was adjusted to weakly alkaline with saturated Na2CO3 solution. Then steam distillation until the distillate without oil beads, and then a small amount of activated carbon adsorption of impurities, colorless liquid, while hot, filtration, filtrate with hydrochloric acid adjusted to pH = 3 ~ 4, at this time there are a large number of white crystals precipitated. After standing for a period of time filtration, with a small amount of water to wash the crystals, drying 4-chloro-3-nitro cinnamic acid crude products, crude products with water and ethanol mixture (volume ratio of 3:1) for recrystallization, 4-chloro-3-nitro cinnamic acid yellow crystals.

4-Chloro-3-nitrocinnamic acid(20797-48-2)Related Product Information

• 2-Nitrochlorobenzene
• Octyl 4-methoxycinnamate
• Acrylic acid
• 4-Bromocinnamic acid
• Methyl cinnamate
• Cinnamic acid
• 3-Nitrocinnamic acid
• alpha-Methylcinnamic acid
• Ethyl cinnamate
• 4-Nitrocinnamic acid
• 3-NITROCINNAMIC ACID
• 4-Chlorocinnamic acid
• Ethyl p-chlorocinnamate
• (2E)-3-(3-AMINOPHENYL)ACRYLIC ACID
• 2-CHLORO-5-NITROCINNAMIC ACID
• trans-Cinnamic acid
• 3-Nitrostyrene
• Difluorochloromethane