4,5-Dichloro-2-nitrobenzotrifluoride

Base Information

• Chemical Name: 4,5-Dichloro-2-nitrobenzotrifluoride
• CAS No.: 50594-31-5
• Molecular Formula: C7H2Cl2F3NO2
• Molecular Weight: 260
• Hs Code.: 2904909090
• European Community (EC) Number: 695-216-0
• DSSTox Substance ID: DTXSID00371646
• Wikidata: Q72467078
• Mol file: 50594-31-5.mol

Synonyms:50594-31-5;4,5-Dichloro-2-nitrobenzotrifluoride;1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene;3,4-Dichloro-6-nitrobenzotrifluoride;MFCD00236666;Benzene, 1,2-dichloro-4-nitro-5-(trifluoromethyl)-;SCHEMBL9765088;DTXSID00371646;MMUARSWOJRDXBV-UHFFFAOYSA-N;CK2384;AKOS015890072;4,5-Dichloro-2-nitrobenzenetrifluoride;AC-4133;AM62015;CS-W010151;PS-10479;SY020740;A7501;FT-0651207

Chemical Property of 4,5-Dichloro-2-nitrobenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.0248mmHg at 25°C
• Melting Point: 36-38°C
• Boiling Point: 256.4°C at 760 mmHg
• Flash Point: 108.8°C
• PSA: 45.82000
• Density: 1.638g/cm³
• LogP: 4.44360
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 258.9414682
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

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

4,5-Dichloro-2-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])C(F)(F)F
• Uses: 3,4-Dichloro-6-nitrobenzotrifluoride is used as a reagent in the synthesis of N-thiadiazolylaniline compounds that have cytotoxic properties and inhibit tumor cell growth. 4,5-Dichloro-2-nitrobenzotrifluoride is used as a reagent in the synthesis of N-thiadiazolylaniline compounds that have cytotoxic properties and inhibit tumor cell growth.