4-Amino-2-(trifluoromethyl)benzonitrile , 97% , 654-70-6

Synonym(s):
4-Cyano-3-trifluoromethylaniline

CAS NO.：654-70-6

Empirical Formula: C8H5F3N2

Molecular Weight: 186.13

MDL number: MFCD00042155

EINECS: 000-000-0

PRODUCT Properties

• Melting point: 141-145 °C(lit.)
• Boiling point: 294.5±40.0 °C(Predicted)
• Density: 1.37±0.1 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: DMSO (Sparingly), Methanol (Slightly)
• pka: 0.50±0.10(Predicted)
• form: Powder
• color: White to off-white
• BRN: 3278074
• InChI: InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
• InChIKey: PMDYLCUKSLBUHO-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=C(N)C=C1C(F)(F)F
• CAS DataBase Reference: 654-70-6(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-2-cyanobenzotrifluoride(654-70-6)

Description and Uses

4-Amino-2-(trifluoromethyl)benzonitrile can serve as starting material in the synthesis of benzimidazoles, which can act as potential candidates in the treatment of breast cancer due to their ability to inhibit the growth of endothelial cells.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H317
• Precautionary statements: P261-P264-P280-P301+P312+P330-P302+P352-P333+P313
• Hazard Codes: Xn,T
• Risk Statements: 22-43-36/37/38-20/21/22
• Safety Statements: 36-45-37/39-26
• RIDADR: 3439
• WGK Germany: 3
• Hazard Note: Toxic
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29049090