CAS 98-04-4 Phenyltrimethylammonium Iodide - Materials / Alfa Chemistry

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Phenyltrimethylammonium Iodide

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Catalog Number

ACM98044

Product Name

Phenyltrimethylammonium Iodide

Structure

CAS

98-04-4

Category

Dye-Sensitized Solar Cell (DSSC) Materials

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

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

Covalently-Bonded Unit Count

EC Number

202-630-3

Exact Mass

263.0171g/mol

Formal Charge

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

Log P

-2.74 (LogP)

MDL Number

MFCD00011791

MeSH Entry Terms

hydroxide of phenyltrimethylammonium;iodide of phenyltrimethylammonium;phenyltrimethylammonium;phenyltrimethylammonium acetate;phenyltrimethylammonium benzenesulfonate;phenyltrimethylammonium bromide;phenyltrimethylammonium chloride;phenyltrimethylammonium tosylate;phenyltrimethylammonium tribromide;phenyltrimethylammonium, tri(methyl-3(2)H)-labeled cpd;trimethyl-d9-anilinium hydroxide;trimethylanilinium;trimethylanilinium iodide;trimethylphenylammonium hydroxide;trimethylphenylammonium iodide;X-TractElute

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

Signal Word

Danger

UNII

4O888XQ7FP

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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