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Merck
CN

141070

Isopropyl isocyanate

≥98%

Synonym(s):

1-Methylethyl isocyanate, 2-Isocyanatopropane, Isopropyl isocyanate, Methyl ethyl isocyanate, Propan-2-yl isocyanate, n-Isopropyl isocyanate

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About This Item

Linear Formula:
(CH3)2CHNCO
CAS Number:
1795-48-8
Molecular Weight:
85.10
Beilstein:
969356
EC Number:
217-276-5
MDL number:
MFCD00002037
UNSPSC Code:
12352100
PubChem Substance ID:
24848490
NACRES:
NA.22

Key Documents

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Quality Level

200

Assay

≥98%

form

liquid

refractive index

n20/D 1.382 (lit.)

bp

74-75 °C (lit.)

density

0.866 g/mL at 25 °C (lit.)

functional group

amine
isocyanate

storage temp.

2-8°C

SMILES string

CC(C)N=C=O

InChI

1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3

InChI key

GSLTVFIVJMCNBH-UHFFFAOYSA-N

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Application

Isopropyl isocyanate was used as reagent during the synthesis of O-aryl N-isopropylcarbamates. It was used as derivatization reagent during the stereoisomeric analysis of secondary alcohols.

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

26.6 °F - closed cup

Flash Point(C)

-3 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS3896
05525JH
S41241
S41156
S41155

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Joakim Bång et al.
Journal of chemical ecology, 37(1), 125-133 (2010-11-27)
A GC-MS method to analyze the stereoisomeric composition of chiral secondary alcohols found in whole body extracts of pine sawfly females was developed. The tested alcohols were derivatized with optically pure (S)-2-acetoxypropionyl chloride prior to GC-MS analysis. Baseline separation was
Matthias Kauch et al.
The Journal of organic chemistry, 70(18), 7149-7158 (2005-08-27)
[reaction: see text] Herein we report regioselective substitution reactions of a series of 2- and 3-hydroxybiaryls including BINOL via a new directed ortho-metalation procedure. O-Aryl N-isopropylcarbamates, conveniently prepared from phenols and isopropyl isocyanate, are temporarily and in situ N-protected by

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