CAS 101066-87-9 4-Iodo-2-(trifluoromethyl)benzonitrile

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4-Iodo-2-(trifluoromethyl)benzonitrile

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Catalog Number

ACM101066879

CAS Number

101066-87-9

Product Name

4-Iodo-2-(trifluoromethyl)benzonitrile

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Cyano-3-(trifluoromethyl)iodobenzene

IUPAC Name

4-iodo-2-(trifluoromethyl)benzonitrile

Molecular Weight

297.02

Molecular Formula

C8H3F3IN

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

Purity

98%+

Density

1.95±0.1 g/ml

Appearance

White to Yellow to Orange powder to crystal

Complexity

229

Covalently-Bonded Unit Count

Exact Mass

296.92623g/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

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

Signal Word

Danger

XLogP3

3.2

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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