439983

Methyl-2-isocyanatbenzoat

97%

• Lineare Formel: OCNC₆H₄CO₂CH₃
• CAS-Nummer: 1793-07-3
• Molekulargewicht: 177.16
• NACRES: NA.22
• PubChem Substance ID: 24867555
• UNSPSC Code: 12352100
• MDL number: MFCD00013848
• Assay: 97%
• Form: solid

Eigenschaften

• Quality Segment: 100
• assay: 97%
• form: solid
• bp: 101 °C/2 mmHg (lit.)
• mp: 45-49 °C (lit.)
• functional group: ester, isocyanate
• SMILES string: COC(=O)c1ccccc1N=C=O
• InChI: 1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3
• InChI key: ATFKBWNEVZUSKC-UHFFFAOYSA-N

Beschreibung

Application

Methyl 2-isocyanatobenzoate may be used for the following syntheses:

• 3H-quinazolin-4-ones
• A1120, a high affinity (K_i = 8.3nM) non-retinoid ligand for the Retinol-binding protein
• trans- and cis-N-phenyl-N′-(4-phenoxy)cyclohexylureas

Sicherheitshinweise

• Piktogramme: GHS08,GHS07
• Signalwort: Danger
• Gefahrencodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• Sicherheitshinweise: 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
• Zielorgane: Respiratory system
• Lagerklasse: 11 - Combustible Solids
• Was ist los?: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• PSA (Persönliche Schutzausrüstung): dust mask type N95 (US), Eyeshields, Gloves