产品名称
异硫氰酸异丙酯, 97%
InChI key
VHBFEIBMZHEWSX-UHFFFAOYSA-N
InChI
1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
SMILES string
CC(C)N=C=S
assay
97%
refractive index
n20/D 1.493 (lit.)
bp
29-30 °C/10 mmHg (lit.)
density
0.948 g/mL at 25 °C (lit.)
functional group
amine
isothiocyanate
Quality Level
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Application
Isopropyl isothiocyanate may be used to synthesize 4-bromo-5,6-dichloro-2-isopropylaminobenzimidazole.
General description
Isopropyl isothiocyanate is an isothiocyanate derivative. It has been identified as one of the volatile components in the following:
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.
- 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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
104.0 °F - closed cup
flash_point_c
40 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Analysis of volatile components in essential oil of upland wasabi and their inhibitory effects on platelet aggregation.
Kumagai H, et al.
Bioscience, Biotechnology, and Biochemistry, 58(12), 2131-2135 (1994)
Electron diffraction investigation of the molecular structures of isopropyl isocyanate and isopropyl isothiocyanate.
Cradock S, et al.
Journal of Molecular Structure, 140(3), 199-207 (1986)
Ivica Blazević et al.
Chemistry & biodiversity, 7(8), 2023-2034 (2010-08-24)
Volatile compounds of hedge mustard (Sysimbrium officinale) have been investigated for the first time. Forthy-two compounds were identified after hydrodistillation (without or upon autolysis) after gas chromatography and gas chromatography/mass spectrometry analyses. In addition, after decoction and hydrolysis of O-glycosides
A general and facile one-pot process of isothiocyanates from amines under aqueous conditions.
Sun N, et al.
Beilstein Journal of Organic Chemistry, 8(1), 61-70 (2012)
Synthesis and antiviral evaluation of halogenated ?-d-and-l-erythrofuranosylbenzimidazoles.
Gudmundsson KS, et al.
Journal of Medicinal Chemistry, 43(12), 2464-2472 (2000)
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