1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
• CAS No.: 646989-36-8
• Molecular Formula: C8H5ClF3NO3
• Molecular Weight: 255.58
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40381608
• Wikidata: Q82172525
• Mol file: 646989-36-8.mol

Synonyms:1-chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene;646989-36-8;SCHEMBL4475384;DTXSID40381608;MFCD00119612;CS-0312337

Chemical Property of 1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene

Chemical Property:

• PSA: 55.05000
• LogP: 3.79880
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 254.9910052
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)Cl)C(F)(F)F)[N+](=O)[O-]
• Uses: 1-?Chloro-?5-?methoxy-?4-?nitro-?2-?(trifluoromethyl)?benzene is a reactant in the synthesis of K-?Ras inhibitors which may prevent the activation of lesions in human cancers.