Aniline-15N

Base Information

• Chemical Name: Aniline-15N
• CAS No.: 7022-92-6
• Molecular Formula: C6H7N
• Molecular Weight: 94.1216
• European Community (EC) Number: 685-807-1
• DSSTox Substance ID: DTXSID40456441
• Nikkaji Number: J915.730A
• Wikidata: Q82278921
• Mol file: 7022-92-6.mol

Synonyms:Aniline-15N;7022-92-6;(15N)Aniline;ANILINE (15N);Benzenamine-15N;DTXSID40456441;Aniline-15N, 98 atom % 15N;MFCD00084195;AKOS030242688

Chemical Property of Aniline-15N

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: ?6 °C(lit.)
• Refractive Index: n20/D 1.586(lit.)
• Boiling Point: 184 °C(lit.)
• Flash Point: 158 °F
• PSA: 26.02000
• Density: 1.015 g/cm³
• LogP: 1.85000
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 94.054884122
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98.5% ^*data from raw suppliers

Aniline-15N ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 20/21/22-40-48/23/24/25-50-68-43-41-23/24/25
• Safety Statements: 28-36/37-45-61-63-46-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N
• Isomeric SMILES: C1=CC=C(C=C1)[15NH2]

Technology Process of Aniline-15N

There total 8 articles about Aniline-15N 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: 89.0%

15N-benzamide (31656-62-9) → (15N)-aniline (7022-92-6)

Guidance literature:

With potassium hypobromite; In water; at 80 - 90 ℃; for 0.5h;

DOI:10.1134/S1070328417010079

Reference yield: 43.0%

bromobenzene (108-86-1,52753-63-6) → (15N)-aniline (7022-92-6)

Guidance literature:

With iron(III) chloride; iron(III) oxide; ammonia; In water; at 90 ℃; for 20h;

Reference yield: 40.0%

[Cp*Fe(μ-η2:η2-2-mercapto-N-phenylbenzenesulfinamide)(μ-η1:η1-Ph15NO)FeCp*][PF6] → (15N)-aniline (7022-92-6) + C32H40Fe2(15)NS2(1+)*F6P(1-)

Guidance literature:

With borane tetrahydrofuran; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.1c03542

upstream raw materials:

¹⁵N-benzamide

benzoyl chloride

bromobenzene

Downstream raw materials:

4-anilino-1,3<2H>benzoxazin-2-one

¹⁵N-diphenylamine

phenyl isothiocyanate-¹⁵N

4-methylazobenzene-β-15N

Refernces

• 1、 Xu, Sunlin,Yang, Dawei,Wang, Baomin,Chen, Yifeng,Ye, Shengfa,Qu, Jingping. "Generation of a Sulfinamide Species from Facile N-O Bond Cleavage of Nitrosobenzene by a Thiolate-Bridged Diiron Complex". . p. 17374 - 17387. Retrieved 2021/10/25.
• 2、 -. "A stable isotope labeling prohibited pigment synthesis method". Paragraph 0069; 0070; 0076; 0077. . Retrieved 2017/10/13.