3-(Chloromethyl)isoquinoline

Base Information

• Chemical Name: 3-(Chloromethyl)isoquinoline
• CAS No.: 147937-36-8
• Molecular Formula: C10H8ClN
• Molecular Weight: 177.63022
• Hs Code.: 2933499090
• European Community (EC) Number: 892-143-8
• DSSTox Substance ID: DTXSID80512116
• Wikidata: Q82371223
• Mol file: 147937-36-8.mol

Synonyms:3-(CHLOROMETHYL)ISOQUINOLINE;147937-36-8;Isoquinoline, 3-(chloromethyl)-;2-AdamantanoneOxime;SCHEMBL2908675;DTXSID80512116;RWMIUVLOQIOJGB-UHFFFAOYSA-N;XFA93736;MFCD17170389;AKOS016013045;DS-14184;FT-0765818;C72814

Chemical Property of 3-(Chloromethyl)isoquinoline

Chemical Property:

• Boiling Point: 310.8±17.0 °C(Predicted)
• PKA: 4.07±0.30(Predicted)
• PSA: 12.89000
• Density: 1.229±0.06 g/cm3(Predicted)
• LogP: 2.97360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.0345270
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

3-(Chloromethyl)isoquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=NC(=CC2=C1)CCl