CAS 3058-39-7 4-Iodobenzonitrile - Materials / Alfa Chemistry

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4-Iodobenzonitrile

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Catalog Number

ACM3058397

Product Name

4-Iodobenzonitrile

Structure

CAS

3058-39-7

Category

Liquid Crystal (LC) Building Blocks

Synonyms

1-Cyano-4-iodobenzene

IUPAC Name

4-iodobenzonitrile

Molecular Weight

229.02

Molecular Formula

C7H4IN

Canonical SMILES

C1=CC(=CC=C1C#N)I

InChI

InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChI Key

XOKDXPVXJWTSRM-UHFFFAOYSA-N

Melting Point

127 °C

Purity

>98.0%(GC)

Density

Light Sensitive

Appearance

White to Orange to Green powder to crystal

Complexity

127

Covalently-Bonded Unit Count

Exact Mass

228.93885g/mol

Formal Charge

Hazard Statements

H301 : Toxic if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00051310

Monoisotopic Mass

228.93885g/mol

NSC Number

87894

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.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.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

MSDS

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COA

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Spec Sheet

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