tert-Butyl (2-cyano-3-fluorophenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-cyano-3-fluorophenyl)carbamate
• CAS No.: 1153762-99-2
• Molecular Formula: C12H13FN2O2
• Molecular Weight: 236.2422232
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50656197
• Wikidata: Q82570740
• Mol file: 1153762-99-2.mol

Synonyms:1153762-99-2;tert-Butyl (2-cyano-3-fluorophenyl)carbamate;(2-Cyano-3-fluoro-phenyl)-carbamic acid tert-Butyl ester;tert-butyl N-(2-cyano-3-fluorophenyl)carbamate;(2-Cyano-3-fluorophenyl)carbamic acid tert-Butyl ester;DTXSID50656197;AKOS009596809;CS-0372298;tert-Butyl(2-cyano-3-fluorophenyl)carbamate;EN300-7104182

Chemical Property of tert-Butyl (2-cyano-3-fluorophenyl)carbamate

Chemical Property:

• Boiling Point: 294.7±30.0 °C(Predicted)
• PKA: 11.98±0.70(Predicted)
• PSA: 65.61000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 3.05798
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.09610582
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

98%min ^*data from raw suppliers

(2-Cyano-3-fluoro-phenyl)carbamicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C(=CC=C1)F)C#N