4-Cyanophenyl isocyanate, 95%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10450663	Thermo Scientific Acros 405970050	5 g	Glass bottle
10258473	Thermo Scientific Acros 405970250	25 g	Glass bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 40465-45-0
• Molecular Weight (g/mol): 144.13
• InChI Key: TVSXDZNUTPLDKY-UHFFFAOYSA-N
• IUPAC Name: 4-isocyanatobenzonitrile

• Molecular Formula: C₈H₄N₂O
• MDL Number: MFCD00037038
• PubChem CID: 170380
• SMILES: C1=CC(=CC=C1C#N)N=C=O

Specifications

• CAS: 40465-45-0
• CAS Max %: 100.0
• Color: White to Beige
• Assay Percent Range: 94% min. (GC)
• Linear Formula: NCC₆H₄NCO
• Synonym: 4-cyanophenyl isocyanate, benzonitrile, 4-isocyanato, 4-cyanophenylisocyanate, p-cyanophenyl isocyanate, benzonitrile,4-isocyanato, 4-isocyanatobenzenecarbonitrile, 4-cyanophenylisocyanat, p-cyanophenylisocyanate, #, 1-cyano-4-isocyanato-benzene
• InChI Key: TVSXDZNUTPLDKY-UHFFFAOYSA-N
• IUPAC Name: 4-isocyanatobenzonitrile
• PubChem CID: 170380
• Percent Purity: 95%
• Chemical Name or Material: 4-Cyanophenyl isocyanate

• CAS Min %: 94.0
• Melting Point: 102°C
• Infrared Spectrum: Authentic
• Molecular Formula: C₈H₄N₂O
• MDL Number: MFCD00037038
• Solubility Information: Solubility in water: insoluble (dec). Other solubilities: soluble in toluene and chloroform
• SMILES: C1=CC(=CC=C1C#N)N=C=O
• Molecular Weight (g/mol): 144.13
• Formula Weight: 144.13
• Physical Form: Crystalline Needles or Solid

Safety and Handling

GHS H Statement
Harmful in contact with skin.
Harmful if inhaled.
May cause respiratory irritation.
Causes skin irritation.
Harmful if swallowed.
Causes serious eye irritation.

GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF ON SKIN: Wash with plenty of soap and water.
Avoid breathing dust/fume/gas/mist/vapors/spray.
IF SWALLOWED: Call a POISON CENTER or doctor

GHS Signal Word: Warning

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Product Identifier

• 4-Cyanophenyl isocyanate

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H312-Harmful in contact with skin.
• H332-Harmful if inhaled.
• H302-Harmful if swallowed.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

RUO – Research Use Only