2-Chloro-5-nitrocinnamic acid

Base Information

• Chemical Name: 2-Chloro-5-nitrocinnamic acid
• CAS No.: 36015-19-7
• Molecular Formula: C9H6ClNO4
• Molecular Weight: 227.604
• Hs Code.: 2916399090
• European Community (EC) Number: 632-214-0
• Nikkaji Number: J236.004G,J254.939E
• Mol file: 36015-19-7.mol

Synonyms:2-Chloro-5-nitrocinnamic acid;36015-19-7;3-(2-Chloro-5-nitrophenyl)acrylic acid;(2E)-3-(2-chloro-5-nitrophenyl)prop-2-enoic acid;2-Chloro-5-nitrocinnamic acid, predominantly trans;(E)-3-(2-chloro-5-nitrophenyl)prop-2-enoic acid;(E)-3-(2-chloro-5-nitrophenyl)acrylic acid;156590-20-4;3-(2-chloro-5-nitrophenyl)prop-2-enoic acid;SCHEMBL1051792;SCHEMBL1051793;IHTLKLSRRSWIGD-DAFODLJHSA-N;STR05280;BBL100472;MFCD00063312;STL554266;AKOS005254457;AKOS025310028;MS-10584;CS-0313557;EN300-1968742;A823093;(2E)-3-(2-Chloro-5-nitrophenyl)-2-propenoic acid;(2E)-3-(2-Chloro-5-nitrophenyl)-2-propenoic acid #

Chemical Property of 2-Chloro-5-nitrocinnamic acid

Chemical Property:

• Appearance/Colour: light beige crystalline powder
• Vapor Pressure: 3.57E-07mmHg at 25°C
• Melting Point: 218-222 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 401.7 °C at 760 mmHg
• Flash Point: 196.7 °C
• PSA: 83.12000
• Density: 1.529 g/cm³
• LogP: 2.86920
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.9985354
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-5-nitrocinnamic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=CC(=O)O)Cl
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)O)Cl

Technology Process of 2-Chloro-5-nitrocinnamic acid

There total 4 articles about 2-Chloro-5-nitrocinnamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

piperidine (110-89-4) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 2-chloro-5-nitrocinnamic acid (36015-19-7)

Guidance literature:

With malonic acid; In pyridine;

Reference yield:

malonic acid (141-82-2) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → (E)-3-(2-chloro-5-nitrophenyl)-2-propenoic acid (36015-19-7)

Guidance literature:

With piperidine; pyridine;

DOI:10.1021/ja01161a094

Reference yield:

malonic acid (141-82-2) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 2-chloro-5-nitrocinnamic acid (36015-19-7)

Guidance literature:

With pyridine;

upstream raw materials:

malonic acid

2-chloro-5-nitrobenzaldehyde

piperidine

Downstream raw materials:

4-chloro-3-ethylbenzoic acid

N-Tosyl-4-chloro-3-propylanilin

N-[4-Chloro-3-(3-hydroxy-propyl)-phenyl]-4-methyl-benzenesulfonamide

4-chloro-3-ethylaniline

Refernces