568201

4-tert-Butylphenyl isocyanate

97%

• Linear Formula: (CH₃)₃CC₆H₄NCO
• CAS Number: 1943-67-5
• Molecular Weight: 175.23
• MDL number: MFCD00040718
• UNSPSC Code: 12352100
• PubChem Substance ID: 24880428
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.5190 (lit.)
• bp: 236-237 °C (lit.)
• density: 0.986 g/mL at 25 °C (lit.)
• functional group: isocyanate
• storage temp.: 2-8°C
• SMILES string: CC(C)(C)c1ccc(cc1)N=C=O
• InChI: 1S/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
• InChI key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N

Description

Application

4-tert-butylphenyl isocyanate may be used in the synthesis of N-(4-tert-butylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1,3-dihydro-2H-isoindole-2-carboxamide.

Caution

Refrigerate

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 210.0 °F - closed cup
• Flash Point(C): 98.9 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves