476013

Isopropyl isothiocyanate

97%

• Synonyme(s) : Isopropyl mustard oil
• Formule linéaire : (CH₃)₂CHNCS
• Numéro CAS: 2253-73-8
• Poids moléculaire : 101.17
• Numéro CE : 218-851-3
• Numéro MDL: MFCD00037830
• Code UNSPSC : 12352100
• ID de substance PubChem : 24871201
• Nomenclature NACRES : NA.22

Propriétés

• Pureté: 97%
• Indice de réfraction: n20/D 1.493 (lit.)
• Point d'ébullition: 29-30 °C/10 mmHg (lit.)
• Densité: 0.948 g/mL at 25 °C (lit.)
• Chaîne SMILES: CC(C)N=C=S
• InChI: 1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
• Clé InChI: VHBFEIBMZHEWSX-UHFFFAOYSA-N

Description

Description générale

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.

Application

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

Informations sur la sécurité

• Pictogrammes: GHS02,GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H226,H315,H319,H335
• Conseils de prudence: P210 - P302 + P352 - P305 + P351 + P338
• Classification des risques: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Organes cibles: Respiratory system
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 104.0 °F - closed cup
• Point d'éclair (°C): 40 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter