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251852

tert-Butyl isothiocyanate

99%

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5 G

$68.93

25 G

$336.00

$68.93

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About This Item

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

Key Documents

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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

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1 of 4

This Item
260630416738283541
tert-Butyl isothiocyanate 99%

Sigma-Aldrich

251852

tert-Butyl isothiocyanate

tert-Butyl isocyanide 98%

Sigma-Aldrich

260630

tert-Butyl isocyanide

S-tert-Butyl thioacetate 98%

Sigma-Aldrich

416738

S-tert-Butyl thioacetate

4-Nitrophenyl isothiocyanate 98%

Sigma-Aldrich

283541

4-Nitrophenyl isothiocyanate

assay

99%

assay

98%

assay

98%

assay

98%

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

100

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

-

refractive index

n20/D 1.48 (lit.)

refractive index

n20/D 1.376 (lit.)

refractive index

n20/D 1.453 (lit.)

refractive index

-

form

liquid

form

liquid

form

liquid

form

powder

bp

30-32 °C/10 mmHg (lit.)

bp

91 °C (lit.)

bp

135-136 °C (lit.)

bp

137-138 °C/11 mmHg (lit.)

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[1].

Application

tert-Butyl isothiocyanate has been used to modify the pore size of top layer of heterostructured surface mounted metal-organic frameworks[2].

pictograms

FlameSkull and crossbones
GHS02,GHS06

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ0636
MKCH1416
MKCC6223
MKBR6987V
MKBN3849V

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Reaction of tert -butyl isocyanate and tert-butyl isothiocyanate at the Ge (100)- 2? 1 Surface.
Loscutoff PW, et al.
Surface Science, 604(19), 1791-1799 (2010)
Min Tu et al.
Dalton transactions (Cambridge, England : 2003), 42(45), 16029-16035 (2013-08-10)
Heterostructured surface mounted metal-organic frameworks (SURMOFs) [Cu2(NH2-bdc)2(dabco)] (B) on top of [Cu2(bdc)2(dabco)] (A) were deposited on pyridyl-terminated Au covered QCM substrate using a step-by-step liquid phase epitaxial growth method. Sequentially, the pore size of the top layer [Cu2(NH2-bdc)2(dabco)] (B) was
E Fontana et al.
Current drug metabolism, 6(5), 413-454 (2005-10-27)
The inhibition of human cytochrome P450s (CYPs) is one of the most common mechanisms which can lead to drug-drug interactions. The inhibition of CYPs can be reversible (competitive or non-competitive) or irreversible. Irreversible inhibition usually derives from activation of a

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