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251852

tert-Butyl isothiocyanate

99%

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About This Item

Linear Formula:
(CH3)3CNCS
CAS Number:
590-42-1
Molecular Weight:
115.20
NACRES:
NA.22
PubChem Substance ID:
24855161
UNSPSC Code:
12352100
EC Number:
209-682-6
MDL number:
MFCD00004816
Assay:
99%
Form:
liquid
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Quality Segment

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

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.

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

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

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

100.4 °F - closed cup

Flash Point (°C)

38 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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