1-(2-Chloro-1,1,2-trifluoroethoxy)-4-isocyanatobenzene

Base Information

• Chemical Name: 1-(2-Chloro-1,1,2-trifluoroethoxy)-4-isocyanatobenzene
• CAS No.: 55226-02-3
• Molecular Formula: C₉H₅ClF₃NO₂
• Molecular Weight: 251.592
• DSSTox Substance ID: DTXSID20604625
• Mol file: 55226-02-3.mol

Synonyms:55226-02-3;1-(2-Chloro-1,1,2-trifluoroethoxy)-4-isocyanatobenzene;SCHEMBL10960028;DTXSID20604625;GCFOIMMVHJGHHV-UHFFFAOYSA-N;MFCD11052969;4-(2-Chloro-1,1,2-trifluoroethoxy)phenylisocyanate

Chemical Property of 1-(2-Chloro-1,1,2-trifluoroethoxy)-4-isocyanatobenzene

Chemical Property:

• PSA: 38.66000
• LogP: 3.15990
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 250.9960906
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

SG000678:1-(2-Chloro-1,1,2-trifluoro-ethoxy)-4-isocyanato-benzene 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C=O)OC(C(F)Cl)(F)F