134317

trans-2-Phenylcyclopropyl isocyanate

90%, remainder predominantly cis

• Linear Formula: C₆H₅C₃H₄NCO
• CAS Number: 63009-74-5
• Molecular Weight: 159.18
• MDL number: MFCD00001273
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848144
• NACRES: NA.22

Properties

• Assay: 90%
• form: liquid
• refractive index: n20/D 1.546 (lit.)
• bp: 75-76 °C/0.5 mmHg (lit.)
• density: 1.074 g/mL at 25 °C (lit.)
• functional group: isocyanate; phenyl
• SMILES string: O=C=N[C@@H]1C[C@H]1c2ccccc2
• InChI: 1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
• InChI key: DYUXVJAFBUZREW-VHSXEESVSA-N

Description

Application

trans-2-Phenylcyclopropyl isocyanate was used as isocyante monomer during general solid-phase synthesis for identification of peroxisome proliferator-activated receptor ligands.

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: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): No data available
• Flash Point(C): No data available
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves