3,4-Dichlorobenzaldehyde oxime

Base Information

• Chemical Name: 3,4-Dichlorobenzaldehyde oxime
• CAS No.: 5331-92-0
• Molecular Formula: C7H5Cl2NO
• Molecular Weight: 190.029
• Hs Code.: 2928000090
• European Community (EC) Number: 692-392-0
• NSC Number: 68353,3935
• DSSTox Substance ID: DTXSID401033337
• Mol file: 5331-92-0.mol

Synonyms:3,4-Dichlorobenzaldehyde oxime;5331-92-0;3,4-Dichlorobenzaldoxime;N-[(3,4-dichlorophenyl)methylidene]hydroxylamine;(NE)-N-[(3,4-dichlorophenyl)methylidene]hydroxylamine;MFCD00017592;(1E)-3,4-dichlorobenzaldehyde oxime;1195871-16-9;NSC3935;3,4-DICHLOROBENZALDEHYDEOXIME;(E)-N-[(3,4-dichlorophenyl)methylidene]hydroxylamine;HMS566K19;3,4-Dichlorobenzaldehyde oxime #;ROBIUDOANJUDHD-ONNFQVAWSA-N;DTXSID401033337;NSC-3935;NSC68353;NSC-68353;AKOS001061845;MS-8952;NCGC00323597-01;CS-10324;EN300-06087;AB01319159-02;A829510;Z49568460

Chemical Property of 3,4-Dichlorobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.00207mmHg at 25°C
• Melting Point: 121-123°C
• Refractive Index: 1.575
• Boiling Point: 278.2 °C at 760 mmHg
• PKA: 10.22±0.10(Predicted)
• Flash Point: 122.1 °C
• PSA: 32.59000
• Density: 1.38g/cm³
• LogP: 2.80150
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.9748192
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

3,4-DichlorobenzaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=NO)Cl)Cl
• Isomeric SMILES: C1=CC(=C(C=C1/C=N/O)Cl)Cl

Technology Process of 3,4-Dichlorobenzaldehyde oxime

There total 4 articles about 3,4-Dichlorobenzaldehyde oxime 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: 95.0%

3,4-dichlorobenzaldehyde (6287-38-3) → 3,4-dichlorobenzaldehyde oxime (5331-92-0)

Guidance literature:

With oxone; ethylenediamine; In water; at 80 ℃; for 3h;

DOI:10.3390/12020231

Reference yield:

3,4-dichlorobenzaldehyde (6287-38-3) → E-3,4-dichloro-benzaldehyde-oxime (5331-92-0)

Guidance literature:

With hydrogenchloride; diethyl ether; hydroxylamine hydrochloride;

Reference yield:

3,4-dichlorobenzaldehyde (6287-38-3) → 3,4-dichloro-benz-anti-aldoxime (5331-92-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate;

upstream raw materials:

3,4-dichlorobenzaldehyde

Downstream raw materials:

2-[3-(3,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl]-2-methylpropionic acid ethyl ester

3-(3,4-dichlorophenyl)-5-hydroxymethylisoxazole

Refernces

• 1、 Hsueh, Nai-Chen,Chen, Shin-Mei,Lin, Chun-Yi,Chang, Meng-Yang. "HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines". . p. 1047 - 1059. Retrieved 2021/02/16.
• 2、 Solaiman Hamed, Ahmed,Mohammad Ali, Ehab. "Cu(II)–metformin immobilized on graphene oxide: an efficient and recyclable catalyst for the Beckmann rearrangement". . p. 701 - 714. Retrieved 2019/11/03.