Phenyltrimethylammonium Iodide

• Catalog Number: ACM98044
• Product Name: Phenyltrimethylammonium Iodide
• CAS: 98-04-4
• Category: Heterocyclic Organic Compound
• IUPAC Name: trimethyl(phenyl)azanium;iodide
• Molecular Weight: 263.12
• Molecular Formula: C9H14IN
• Canonical SMILES: C[N+](C)(C)C1=CC=CC=C1.[I-]
• InChI: InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
• InChI Key: KKLAORVGAKUOPZ-UHFFFAOYSA-M
• Melting Point: 227 °C
• Solubility: >39.5 [ug/mL]
• Appearance: White to Light yellow powder to crystal
• Storage: Store under inert gas
• Complexity: 95.8
• Condition To Avoid: Light Sensitive
• Covalently-Bonded Unit Count: 2
• EC Number: 202-630-3
• Exact Mass: 263.0171g/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: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• LogP: -2.74 (LogP)
• MDL Number: MFCD00011791
• Monoisotopic Mass: 263.0171g/mol
• NSC Number: 5047
• 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: 1
• Signal Word: Danger
• UNII: 4O888XQ7FP