Phenyltrimethylammonium Iodide
Catalog Number
ACM98044
CAS
98-04-4
IUPAC Name
trimethyl(phenyl)azanium;iodide
Molecular Weight
263.12
Molecular Formula
C9H14IN
Product Information
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
Purity
>98.0%THPLC
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
Exact Mass
263.0171g/mol
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
11
MDL Number
MFCD00011791
Monoisotopic Mass
263.0171g/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.
Reaxys Registry Number
3916752
Rotatable Bond Count
1
Signal Word
Danger
Solubility In Water
Soluble
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