2,3-Difluoro-4-hydroxybenzonitrile

Base Information

• Chemical Name: 2,3-Difluoro-4-hydroxybenzonitrile
• CAS No.: 126162-38-7
• Molecular Formula: C₇H₃F₂NO
• Molecular Weight: 155.104
• Hs Code.: 2926909090
• European Community (EC) Number: 642-575-6
• DSSTox Substance ID: DTXSID70371739
• Wikidata: Q72462958
• Mol file: 126162-38-7.mol

Synonyms:2,3-Difluoro-4-hydroxybenzonitrile;126162-38-7;4-cyano-2,3-difluorophenol;Benzonitrile, 2,3-difluoro-4-hydroxy-;2,3-Difluoro-4-Cyanophenol;Benzonitrile,2,3-difluoro-4-hydroxy-;MFCD00269596;SCHEMBL1128771;DTXSID70371739;UIJJJWADIVZXNT-UHFFFAOYSA-N;BBL100518;STL554312;AKOS005254219;AC-4062;CS-W018024;PS-6557;1,4]BIPIPERIDINYL-4-CARBOXYLICACID;AM20050290;FT-0659701;A20948;2,3-Difluoro-4-hydroxybenzonitrile, AldrichCPR;EN300-3209045;J-506949

Chemical Property of 2,3-Difluoro-4-hydroxybenzonitrile

Chemical Property:

• Appearance/Colour: Off-white solid
• Melting Point: 145-147 °C
• Boiling Point: 260.8 °C at 760 mmHg
• PKA: 5.60±0.23(Predicted)
• Flash Point: 111.5 °C
• PSA: 44.02000
• Density: 1.44 g/cm³
• LogP: 1.54208
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 155.01827004
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

2,3-Difluoro-4-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C#N)F)F)O