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:
Molecular Weight:
85.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
217-276-5
Beilstein/REAXYS Number:
969356
MDL number:
Assay:
≥98%
Form:
liquid
Quality Level
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
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.
signalword
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
3 - Flammable liquids
wgk
WGK 1
flash_point_f
26.6 °F - closed cup
flash_point_c
-3 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 141070-25G | 04061838733894 |
| 141070-1G | 04061836825270 |