478334

4-Methyl-2-nitrophenyl isocyanate

95%

• Fórmula linear: CH₃C₆H₃(NO₂)NCO
• Número CAS: 57910-98-2
• Peso molecular: 178.14
• Número MDL: MFCD00014705
• Código UNSPSC: 12352100
• ID de substância PubChem: 24871493

Propriedades

• Ensaio: 95%
• pf: 57-61 °C (lit.)
• temperatura de armazenamento: 2-8°C
• cadeia de caracteres SMILES: Cc1ccc(N=C=O)c(c1)[N+]([O-])=O
• InChI: 1S/C8H6N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
• chave InChI: RTXDHIPQKZLDJD-UHFFFAOYSA-N

Descrição

Descrição geral

4-Methyl-2-nitrophenyl isocyanate, also known as 1-isocyanato-4-methyl-2-nitrobenzene, is an organic building block containing an isocyanate group. The conformational analysis of 4-methyl-2-nitrophenyl isocyanate has been reported based on its vibrational spectral data and density functional theory (DFT) calculations.

Aplicação

4-Methyl-2-nitrophenyl isocyanate may be used in the preparation 4-methylphenyl analog of 2-[(2-nitrophenyl)amino]furanone.

Informações de segurança

• Pictogramas: GHS08,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H302 + H312 + H332,H315,H317,H319,H334,H335
• Declarações de precaução: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Classificações de perigo: 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
• Órgãos-alvo: Respiratory system
• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 235.4 °F - closed cup
• Ponto de fulgor (°C): 113 °C - closed cup
• Equipamento de proteção individual: dust mask type N95 (US), Eyeshields, Gloves