251852

tert-Butyl isothiocyanate

99%

• Linear Formula: (CH₃)₃CNCS
• CAS Number: 590-42-1
• Molecular Weight: 115.20
• EC Number: 209-682-6
• MDL number: MFCD00004816
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855161
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.48 (lit.)
• bp: 30-32 °C/10 mmHg (lit.)
• mp: 10.5-11.5 °C (lit.)
• density: 0.908 g/mL at 25 °C (lit.)
• functional group: amine; isothiocyanate
• SMILES string: CC(C)(C)N=C=S
• InChI: 1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
• InChI key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Description

General description

Adsorption of tert-butyl isothiocyanate at the Ge (100) surface was studied using multiple internal reflection FTIR spectroscopy, X-ray photoelectron spectroscopy and density functional theory modeling.

Application

tert-Butyl isothiocyanate has been used to modify the pore size of top layer of heterostructured surface mounted metal-organic frameworks.

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Statements: H226,H301 + H311 + H331,H319,H335
• Precautionary Statements: P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 100.4 °F - closed cup
• Flash Point(C): 38 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves