409731

Methyl (S)-(−)-2-isocyanato-3-phenylpropionate

99%

• Linear Formula: C₆H₅CH₂CH(NCO)CO₂CH₃
• CAS Number: 40203-94-9
• Molecular Weight: 205.21
• MDL number: MFCD00191535
• UNSPSC Code: 12352108
• PubChem Substance ID: 24865670

Properties

• assay: 99%
• optical activity: [α]20/D −80.0°, neat
• refractive index: n20/D 1.513 (lit.)
• bp: 244 °C (lit.)
• density: 1.13 g/mL at 25 °C (lit.)
• SMILES string: COC(=O)[C@H](Cc1ccccc1)N=C=O
• InChI: 1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1
• InChI key: JOTMMIYKEOOTNZ-JTQLQIEISA-N

Description

Application

This compound has been employed in the preparation of dipeptide analogs of angiotensinogen[1] and Schiff base derivatives for the inhibition of thermolysin.[2]

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H226,H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 116.1 °F - closed cup
• flash_point_c: 46.7 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter