3,4-Dichloroaniline-13C6

Base Information

• Chemical Name: 3,4-Dichloroaniline-13C6
• CAS No.: 89059-40-5
• Molecular Formula: C6H5 Cl2 N
• Molecular Weight: 174.12
• DSSTox Substance ID: DTXSID20514654
• Nikkaji Number: J2.435.870D
• Wikidata: Q82375112
• Mol file: 89059-40-5.mol

Synonyms:3,4-Dichloroaniline-13C6;89059-40-5;3,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine;DTXSID20514654;3,4-Dichloro(~13~C_6_)aniline

Chemical Property of 3,4-Dichloroaniline-13C6

Chemical Property:

• PSA: 26.02000
• LogP: 3.15680
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.0000336
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dichloroaniline-13C6 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,R,N
• Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)Cl)Cl
• Isomeric SMILES: [13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1N)Cl)Cl
• Uses: An intermediate in the synthesis of (13C6)N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide

Technology Process of 3,4-Dichloroaniline-13C6

There total 1 articles about 3,4-Dichloroaniline-13C6 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%

<(13)C6> 3,4-dichloronitrobenzene → <(13)C6> 3,4-dichloroaniline (89059-40-5)

Guidance literature:

With tin(ll) chloride; In ethanol; Heating;

DOI:10.1002/jlcr.1226

Reference yield: 93.0%

pivaloyl chloride (3282-30-2) + <(13)C6> 3,4-dichloroaniline (89059-40-5) → (13C6)N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide

Guidance literature:

With sodium hydroxide; tert-butyl methyl ether;

DOI:10.1002/jlcr.1226

Reference yield:

<(13)C6> 3,4-dichloroaniline (89059-40-5) → <(13)C12> 3,3',4,4'-tetrachloroazobenzene

Guidance literature:

With manganese(IV) oxide; In dichloromethane; Heating;

DOI:10.1016/0045-6535(94)00378-8

Refernces

• 1、 Schneider, Serge,Hashimoto, Shunji,Yamamoto, Takashi,Morita, Masatoshi. "DETERMINATION OF 3,3',4,4'-TETRACHLOROAZOBENZENE IN WATER BY ISOTOPE DILUTION GAS CHROMATOGRAPHY/HIGH RESOLUTION MASS SPECTROMETRY". . p. 81 - 88. Retrieved 2007/10/03.