Benzaldehyde, oxime, (Z)-

Base Information

• Chemical Name: Benzaldehyde, oxime, (Z)-
• CAS No.: 622-32-2
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Hs Code.: 2928000090
• European Community (EC) Number: 213-261-2,629-590-3
• NSC Number: 154850
• UNII: YR8F3Q0KSH
• DSSTox Substance ID: DTXSID201031547
• Nikkaji Number: J131.184K,J6.838A
• Wikipedia: Benzaldehyde_oxime
• Wikidata: Q76303640
• Metabolomics Workbench ID: 129917
• ChEMBL ID: CHEMBL265435
• Mol file: 622-32-2.mol

Synonyms:(Z)-Benzaldehyde oxime;Benzaldehyde, oxime, (Z)-;(Z)-Benzaldoxime;622-32-2;anti-Benzaldoxime;(E)-Benzaldehyde oxime;Benzaldoxime;syn-Benzaldehyde oxime;(NZ)-N-benzylidenehydroxylamine;cis-Benzaldoxime;Benzaldoxime, (Z)-;Benzaldehyde oxime;932-90-1;YR8F3Q0KSH;NSC-154850;BENZALDEHYDEOXIME;Z-Benzaldoxime;(Z)-Benzaldehydeoxime;(E)-benzaldehydeoxime;Benzaldehyde, (Z)-;Benzaldehyde oxime, cis;UNII-YR8F3Q0KSH;CIS-BENZALDEHYDE OXIME;SCHEMBL309201;CHEMBL265435;DTXSID201031547;NSC154850;NSC 154850;BENZALDEHYDE, OXIME, (C(Z))-;CS-0357523;D78196;A913705

Chemical Property of Benzaldehyde, oxime, (Z)-

Chemical Property:

• Vapor Pressure: 0.204mmHg at 25°C
• Melting Point: 34-36 °C(lit.)
• Refractive Index: n20/D 1.591(lit.)
• Boiling Point: 200 °C at 760 mmHg
• PKA: 10.80±0.70(Predicted)
• Flash Point: 108.9 °C
• PSA: 32.59000
• Density: 1.02 g/cm³
• LogP: 1.49470
• Storage Temp.: 2-8°C
• Solubility.: methanol: 0.1 g/mL, clear
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.052763847
• Heavy Atom Count: 9
• Complexity: 95.1

Purity/Quality:

99%, ^*data from raw suppliers

(Z)-Benzaldehydeoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Oximes
• Canonical SMILES: C1=CC=C(C=C1)C=NO
• Isomeric SMILES: C1=CC=C(C=C1)/C=N\O

Technology Process of Benzaldehyde, oxime, (Z)-

There total 133 articles about Benzaldehyde, oxime, (Z)- 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: 100.0%

benzaldehyde (100-52-7) → syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol;

DOI:10.1021/ol0168768

Reference yield: 98.0%

1-nitro-1-phenylmethane (622-42-4) → syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2)

Guidance literature:

With tin(II) benzenethiolate; thiophenol; triethylamine; In benzene; for 0.166667h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85439-9

Reference yield: 97.0%

N-benzylhydroxylamine hydrochloride (29601-98-7) → syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 45 ℃; for 0.5h;

DOI:10.1002/anie.200352076

upstream raw materials:

dibenzylidene-diazoxane-N-oxide

dithiobenzoic acid

thiobenzaldehyde

benzylidenamine

Downstream raw materials:

benzonitrile

monoammonium para-toluenesulfonate

toluene-4-sulfonamide

picramide

Refernces

• 1、 -. "Novel oxime derivative and application thereof in agriculture". Paragraph 0143-0144. . Retrieved 2021/04/10.
• 2、 Chen, Hua,Deng, Hongmei,Gong, Haiying,Hao, Jian,Li, Mingjie,Peng, Yi,Wan, Wen,Wang, Qian,Zhang, Yifang. "Visible-light mediated stereospecific C(sp2)-H difluoroalkylation of (Z)-aldoximes". supporting information. p. 7867 - 7874. Retrieved 2021/09/28.