531324

(S)-(−)-α-Methylbenzyl isocyanide

96%

• Linear Formula: C₆H₅CH(CH₃)NC
• CAS Number: 21872-32-2
• Molecular Weight: 131.17
• MDL number: MFCD02683482
• UNSPSC Code: 12352116
• PubChem Substance ID: 24877812
• NACRES: NA.22

Properties

• assay: 96%
• optical activity: [α]20/D −35°, neat
• refractive index: n20/D 1.506 (lit.)
• bp: 220 °C (lit.)
• density: 0.97 g/mL at 25 °C (lit.)
• functional group: amine; isonitrile; phenyl
• storage temp.: 2-8°C
• SMILES string: C[C@H]([N+]#[C-])c1ccccc1
• InChI: 1S/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3/t8-/m0/s1
• InChI key: KCCAPMXVCPVFEH-QMMMGPOBSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 192.2 °F - closed cup
• flash_point_c: 89 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter