476013

Isopropyl isothiocyanate

97%

• Sinônimo(s): Isopropyl mustard oil
• Fórmula linear: (CH₃)₂CHNCS
• Número CAS: 2253-73-8
• Peso molecular: 101.17
• Número CE: 218-851-3
• Número MDL: MFCD00037830
• Código UNSPSC: 12352100
• ID de substância PubChem: 24871201
• NACRES: NA.22

Propriedades

• Ensaio: 97%
• índice de refração: n20/D 1.493 (lit.)
• pb: 29-30 °C/10 mmHg (lit.)
• densidade: 0.948 g/mL at 25 °C (lit.)
• cadeia de caracteres SMILES: CC(C)N=C=S
• InChI: 1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
• chave InChI: VHBFEIBMZHEWSX-UHFFFAOYSA-N

Descrição

Descrição geral

Isopropyl isothiocyanate is an isothiocyanate derivative. It has been identified as one of the volatile components in the following:

• seed kernel and leaf of Moringa peregrina (Forssk.) Fiori, Agricolt1
• essential oil isolated from Upland Wasabi
• hydrodistillates of hedge mustard (Sysimbrium officinale)

Molecular conformations of isopropyl isothiocyanate in gas phase have been determined by electron diffraction studies. It has been synthesized by employing isopropyl amine as a starting reagent.

Aplicação

Isopropyl isothiocyanate may be used to synthesize 4-bromo-5,6-dichloro-2-isopropylaminobenzimidazole.

Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Warning
• Frases de perigo: H226,H315,H319,H335
• Declarações de precaução: P210 - P302 + P352 - P305 + P351 + P338
• Classificações de perigo: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Órgãos-alvo: Respiratory system
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 104.0 °F - closed cup
• Ponto de fulgor (°C): 40 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter