4-Iodo-2-(trifluoromethyl)benzonitrile

• CAS: 101066-87-9
• Catalog Number: ACM101066879
• Category: Other Products
• Molecular Weight: 297.02
• Molecular Formula: C8H3F3IN
• Synonyms: 4-Cyano-3-(trifluoromethyl)iodobenzene
• IUPAC Name: 4-iodo-2-(trifluoromethyl)benzonitrile
• Canonical SMILES: C1=CC(=C(C=C1I)C(F)(F)F)C#N
• InChI: InChI=1S/C8H3F3IN/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3H
• InChI Key: RBRTXKYFMXVIER-UHFFFAOYSA-N
• Boiling Point: 282.3±40.0 °C
• Melting Point: 50-55 °C
• Density: 1.95±0.1 g/ml
• Appearance: White to Yellow to Orange powder to crystal
• Complexity: 229
• Covalently-Bonded Unit Count: 1
• Exact Mass: 296.92623g/mol
• Formal Charge: 0
• Hazard Statements: H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 13
• MDL Number: MFCD08458091
• Monoisotopic Mass: 296.92623g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
• Rotatable Bond Count: 0
• Signal Word: Danger
• XLogP3: 3.2