4-Amino-3-chloro-5-methylbenzonitrile

Base Information

• Chemical Name: 4-Amino-3-chloro-5-methylbenzonitrile
• CAS No.: 158296-69-6
• Molecular Formula: C₈H₇ClN₂
• Molecular Weight: 166.61
• Hs Code.: 2926909090
• European Community (EC) Number: 640-350-7
• DSSTox Substance ID: DTXSID30370667
• Wikidata: Q72434495
• Mol file: 158296-69-6.mol

Synonyms:4-amino-3-chloro-5-methylbenzonitrile;158296-69-6;Benzonitrile, 4-amino-3-chloro-5-methyl-;4-Amino-3-Chloro-5-Methyl-Benzonitrile;2-CHLORO-4-CYANO-6-METHYLANILINE;SCHEMBL1145042;DTXSID30370667;CL8202;MFCD00041476;AKOS006228605;CS-W014302;PB18430;4-Amino-3-chloro-5-methyl benzonitrile;AM808217;AS-18871;FT-0617488;A809918;4-Amino-3-chloro-5-methylbenzonitrile, AldrichCPR;J-514353

Chemical Property of 4-Amino-3-chloro-5-methylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 126 °C
• Refractive Index: 1.594
• Boiling Point: 302 °C at 760 mmHg
• PKA: -0.37±0.10(Predicted)
• Flash Point: 136.5 °C
• PSA: 49.81000
• Density: 1.27g/cm³
• LogP: 2.68348
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.0297759
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-3-chloro-5-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)Cl)C#N