2-Chloro-4,6-dimethylaniline

Base Information

• Chemical Name: 2-Chloro-4,6-dimethylaniline
• CAS No.: 63133-82-4
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 2921430090
• European Community (EC) Number: 263-896-4
• UNII: M21NJ0OHPP
• DSSTox Substance ID: DTXSID9040714
• Nikkaji Number: J28.393B
• Wikidata: Q27283367
• ChEMBL ID: CHEMBL3184664
• Mol file: 63133-82-4.mol

Synonyms:2-Chloro-4,6-dimethylaniline;63133-82-4;2,4-Dimethyl-6-chloroaniline;6-Chloro-2,4-dimethylaniline;Benzenamine, 2-chloro-4,6-dimethyl-;2-chloro-4,6-dimethyl aniline;2-Chloro-4,6-xylidine;UNII-M21NJ0OHPP;M21NJ0OHPP;DTXSID9040714;EINECS 263-896-4;SCHEMBL698002;CHEMBL3184664;DTXCID7020714;6-CHLORO-2,4-XYLIDINE;2-Chloro-4,6-dimethylaniline #;2,4-XYLIDINE, 6-CHLORO-;Tox21_301996;MFCD00044118;2-Chloro-4,6-dimethylaniline, 96%;AKOS000120826;Benzenamine, 2-chloro-4.6-dimethyl-;NCGC00164159-01;NCGC00255517-01;AS-75672;CAS-63133-82-4;FT-0640873;EN300-20796;A834230;Q27283367

Chemical Property of 2-Chloro-4,6-dimethylaniline

Chemical Property:

• Vapor Pressure: 0.0351mmHg at 25°C
• Melting Point: 38-40 °C(lit.)
• Refractive Index: 1.575
• Boiling Point: 241.9 °C at 760 mmHg
• PKA: 2.94±0.10(Predicted)
• Flash Point: 100.1 °C
• PSA: 26.02000
• Density: 1.142 g/cm³
• LogP: 3.12020
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-4,6-dimethylaniline 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-36/37/38-40-45
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Cl)N)C

Technology Process of 2-Chloro-4,6-dimethylaniline

There total 16 articles about 2-Chloro-4,6-dimethylaniline 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: 96.0%

1-chloro-3,5-dimethyl-2-nitro-benzene (124421-11-0) → 2-chloro-4,6-dimethylaniline (63133-82-4)

Guidance literature:

With sodium dithionite; In methanol; at 60 ℃; for 24h;

DOI:10.1021/jm00164a061

Reference yield:

→ 2-chloro-4,6-dimethylaniline (63133-82-4)

Guidance literature:

With iron; acetic acid;

Reference yield:

2-chloro-4,6-dimethyl-acetanilide (93506-80-0) → 2-chloro-4,6-dimethylaniline (63133-82-4)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2,4-dimethylphenyl azide

2-chloro-4,6-dimethyl-acetanilide

N-(2,4-dimethylphenyl)hydroxylamine

benzenesulfonic acid-(2-chloro-4,6-dimethyl-anilide)

Downstream raw materials:

(2-chloro-4,6-dimethyl-phenyl)-(3-nitro-pyridin-2-yl)-amine

4,6-dimethylbenzo[d]thiazole-2(3H)-thione

C₂₅H₂₅Cl₂N₃

tert-butyl 6-(mesitylcarbamoyl)benzo[d]thiazol-2-yl-carbamate

Refernces