3-Bromobenzaldehyde oxime

Base Information

• Chemical Name: 3-Bromobenzaldehyde oxime
• CAS No.: 51873-95-1
• Molecular Formula: C7H6 Br N O
• Molecular Weight: 200.03
• Hs Code.: 2928000090
• Nikkaji Number: J566.024F
• Mol file: 51873-95-1.mol

Synonyms:3-Bromobenzaldehyde oxime;3-Bromobenzaldoxime;51873-95-1;Benzaldehyde, 3-bromo-, oxime, (E)-;Benzaldehyde, 3-bromo-, oxime, (Z)-;m-bromo-benzaldoxime;anti-m-Bromobenzaldoxime;3-Bromobenzaldehyde oxime #;SCHEMBL2160777;DBGBMIPNNIZQNN-UITAMQMPSA-N;AKOS023710081

Chemical Property of 3-Bromobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.00423mmHg at 25°C
• Melting Point: 73-76 °C(lit.)
• Boiling Point: 266.7°Cat760mmHg
• PKA: 10.57±0.10(Predicted)
• Flash Point: 115.1°C
• PSA: 32.59000
• Density: 1.52g/cm³
• LogP: 2.25720
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.96328
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

3-Bromobenzaldoxime ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C=NO
• Isomeric SMILES: C1=CC(=CC(=C1)Br)/C=N\O

Technology Process of 3-Bromobenzaldehyde oxime

There total 10 articles about 3-Bromobenzaldehyde 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: 100.0%

m-bromobenzoic aldehyde (3132-99-8) → 3-bromobenzaldehyde oxime (51873-95-1,52739-46-5,32605-62-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; Reflux;

DOI:10.1021/acs.orglett.5b03462

Reference yield: 95.0%

→ 3-bromobenzaldehyde oxime (51873-95-1,52739-46-5,32605-62-2)

Guidance literature:

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) → 3-cyanobromobenzene (6952-59-6) + 3-bromobenzaldehyde oxime (51873-95-1,52739-46-5,32605-62-2)

Guidance literature:

With hydroxylamine hydrochloride; FeOO₂₈₀; In toluene; for 6h; Heating;

DOI:10.1080/00397910008086903

upstream raw materials:

E-3-bromo-benzaldehyde-oxime

m-bromobenzoic aldehyde

sodium methylate

3-Bromo-benzaldehyde O-(2,4-dinitro-phenyl)-oxime

Downstream raw materials:

E-3-bromo-benzaldehyde-oxime

N-(3-bromophenyl)cyanamide

Refernces

• 1、 Umm-E-Farwa,Ullah, Saeed,Khan, Maria Aqeel,Zafar, Humaira,Atia-tul-Wahab,Younus, Munisaa,Choudhary, M. Iqbal,Basha, Fatima Z.. "Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors". supporting information. . Retrieved 2021/05/10.
• 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.