2-Chloro-3-methoxybenzonitrile

Base Information

• Chemical Name: 2-Chloro-3-methoxybenzonitrile
• CAS No.: 853331-52-9
• Molecular Formula: C8H6 Cl N O
• Molecular Weight: 167.595
• Hs Code.: 2926907090
• European Community (EC) Number: 627-318-8
• DSSTox Substance ID: DTXSID40584733
• Nikkaji Number: J2.953.255I
• Wikidata: Q82476439
• Mol file: 853331-52-9.mol

Synonyms:2-Chloro-3-methoxybenzonitrile;853331-52-9;SCHEMBL2336325;DTXSID40584733;QZCKPEQQNFBXHZ-UHFFFAOYSA-N;GEO-04562;MFCD07784400;2-Chloro-3-methoxybenzonitrile, 97%;AKOS023428908;AS-60341;SY129842;CS-0063937;D73316

Chemical Property of 2-Chloro-3-methoxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.00984mmHg at 25°C
• Melting Point: 92-96 °C
• Refractive Index: 1.548
• Boiling Point: 264.2°C at 760 mmHg
• Flash Point: 113.6°C
• PSA: 33.02000
• Density: 1.25g/cm³
• LogP: 2.22028
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

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

2-Chloro-3-methoxybenzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1Cl)C#N