4-Chlorophenyl isocyanate, 98%

Description

CAS: 104-12-1 | C₇H₄ClNO | 153.57 g/mol

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.

Specifications

Chemical Identifiers

• CAS: 104-12-1
• Molecular Formula: C₇H₄ClNO
• Molecular Weight (g/mol): 153.57
• MDL Number: MFCD00002024
• InChI Key: ADAKRBAJFHTIEW-UHFFFAOYSA-N
• Synonym: 4-chlorophenyl isocyanate, p-chlorophenyl isocyanate, benzene, 1-chloro-4-isocyanato, pcpi, 4-chloroisocyanatobenzene, para-chlorophenyl isocyanate, p-chlorfenylisokyanat, 4-chlorophenylisocyanate, isocyanic acid, p-chlorophenyl ester, 1-chloro-4-isocyanato-benzene
• PubChem CID: 7693
• IUPAC Name: 1-chloro-4-isocyanatobenzene
• SMILES: C1=CC(=CC=C1N=C=O)Cl

• Melting Point: 29.0°C to 31.0°C
• Color: White to Yellow
• CAS Min %: 97.5
• CAS Max %: 100.0
• Density: 1.2600g/mL
• Boiling Point: 203.0°C to 204.0°C
• Quantity: 25 g
• Infrared Spectrum: Authentic
• Packaging: Glass bottle
• Physical Form: Crystalline Solid
• Refractive Index: 1.5618
• Assay Percent Range: 97.5% min. (GC)
• Specific Gravity: 1.26
• Linear Formula: ClC₆H₄NCO
• Beilstein: 12, 616
• Solubility Information: Solubility in water: decomposes in water
• Formula Weight: 153.57
• Percent Purity: 98%
• Chemical Name or Material: 4-Chlorophenyl isocyanate

Safety and Handling

Hazard Category	GHS Signal Word: Danger
Hazard Statement	GHS H Statement Causes skin irritation. Very toxic to aquatic life with long lasting effects. May cause respiratory irritation. Causes serious eye damage. May cause allergy or asthma symptoms or breathing difficulties if in
Precautionary Statement	GHS P Statement Wear eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Avoid breathing dust/fume/gas/mist/vapors/spray.
EINECSNumber	203-176-9
Recommended Storage	Product may develop some turbidity or precipitate

SDS

RUO – Research Use Only