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251852

Sigma-Aldrich

tert-Butyl isothiocyanate

99%

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Linear Formula:
(CH3)3CNCS
CAS Number:
Molecular Weight:
115.20
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

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.)

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

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1 of 4

This Item
26063041673820021
vibrant-m

251852

tert-Butyl isothiocyanate

vibrant-m

260630

tert-Butyl isocyanide

vibrant-m

416738

S-tert-Butyl thioacetate

vibrant-m

20021

3-tert-Butyl-4-hydroxyanisole

assay

99%

assay

98%

assay

98%

assay

≥98% (sum of isomers, GC)

refractive index

n20/D 1.48 (lit.)

refractive index

n20/D 1.376 (lit.)

refractive index

n20/D 1.453 (lit.)

refractive index

-

bp

30-32 °C/10 mmHg (lit.)

bp

91 °C (lit.)

bp

135-136 °C (lit.)

bp

-

mp

10.5-11.5 °C (lit.)

mp

-

mp

-

mp

48-63 °C

density

0.908 g/mL at 25 °C (lit.)

density

0.735 g/mL at 25 °C (lit.)

density

0.927 g/mL at 25 °C (lit.)

density

-

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

signalword

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_germany

WGK 3

flash_point_f

100.4 °F - closed cup

flash_point_c

38 °C - closed cup

ppe

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


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Reaction of tert -butyl isocyanate and tert-butyl isothiocyanate at the Ge (100)- 2? 1 Surface.
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