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(R)-(+)-α-Methylbenzyl isocyanate

ALDRICH/220574 - 99%

Synonym: (R)-(+)-1-Phenylethyl isocyanate

CAS Number: 33375-06-3
Empirical Formula (Hill Notation): C9H9NO
Molecular Weight: 147.17
EC Number: 251-485-2
MDL Number: MFCD00063015
Linear Formula: C6H5CH(CH3)NCO
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-220574-1G 1 g
 $62.90
1/EA		 Add To Favorites
45-220574-5G 5 g
 $149.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 220574-1G.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 220574-5G.

 

assay 99%
bp 55-56 °C/2.5 mmHg (lit.)
density 1.045 g/mL at 20 °C (lit.)
form liquid
functional group amine
  isocyanate
  phenyl
InChI 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
InChI key JJSCUXAFAJEQGB-MRVPVSSYSA-N
optical activity [α]20/D +10°, neat
optical purity ee: 96% (GLC)
Quality Level 200 
refractive index n20/D 1.513 (lit.)
SMILES string C[C@@H](N=C=O)c1ccccc1
storage temp. 2-8°C
Application:
  • Paper Title: Stereoselective metabolism of nicotine and tobacco-specific N-nitrosamines to 4-hydroxy-4-(3-pyridyl)butanoic acid in rats. (Trushin N, Hecht SS, 1999 ).
  • Paper Title: Absolute configuration of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol formed metabolically from 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone. (Hecht SS, Spratt TE, Trushin N, 1997 ).
General description: (R)-(+)-α-Methylbenzyl isocyanate is an organic compound that belongs to the class of isocyanates. It is used in the synthesis of chiral ligands for asymmetric catalysis. These ligands play a crucial role in enantioselective reactions, allowing to produce single enantiomer products.
Packaging: 1, 5 g in glass bottle
Purity 99%
bp 55-56 °C/2.5 mmHg (lit.)
Density 1.045 g/mL at 20 °C (lit.)
Refractive Index n20/D 1.513 (lit.)
Storage Temp. 2-8°C
UNSPSC 12352118

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