Skip to Content
Merck
CN
All Photos(1)

Documents

77970

Supelco

(S)-(−)-α-Methylbenzyl isocyanate

for chiral derivatization, LiChropur™, ≥99.0%

Sign Into View Organizational & Contract Pricing
All Photos(1)
Synonym(s):
(S)-(−)-1-Phenylethyl isocyanate
Linear Formula:
C6H5CH(CH3)NCO
CAS Number:
14649-03-7
Molecular Weight:
147.17
Beilstein:
4230972
EC Number:
238-698-6
MDL number:
MFCD00002036
UNSPSC Code:
12000000
PubChem Substance ID:
329768061
NACRES:
NA.22

grade

for chiral derivatization

Quality Level

100

Assay

≥99.0% (sum of enantiomers, GC)
≥99.0%

form

liquid

optical activity

[α]20/D −10.5±0.5°, neat

optical purity

enantiomeric ratio: ≥99.5:0.5 (GC)

quality

LiChropur™

technique(s)

HPLC: suitable

refractive index

n20/D 1.513
n20/D 1.5145 (lit.)

bp

55-56 °C/2.5 mmHg (lit.)

density

1.045 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

C[C@H](N=C=O)c1ccccc1

InChI

1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1

InChI key

JJSCUXAFAJEQGB-QMMMGPOBSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

(S)-(−)-α-Methylbenzyl isocyanate is a useful chiral derivatization reagent for all gas chromatography (GC) applications in the chiral field. It has been employed to meet the requirements for derivatization reagents for enantiomeric excess determinations.

Recommended products

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Aquatic Chronic 3 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

149.0 °F

Flash Point(C)

65 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

High-performance liquid chromatographic determination of the enantiomers of beta-adrenoceptor blocking agents in biological fluids. II. Studies with atenolol.
S K Chin et al.
Journal of chromatography, 489(2), 438-445 (1989-04-14)
Myriam Matoga et al.
Journal of enzyme inhibition and medicinal chemistry, 17(6), 375-379 (2003-04-10)
The derivatization of racemic 5-[(2-methylphenoxy)methyl]-2-amino-2-oxazoline, developed as an imidazoline binding sites ligand, with (+)-(R)-alpha-methylbenzyl isocyanate was performed in chloroform. The reaction led to two pairs of diastereomers, which were separated by RP-HPLC. A kinetic study of the derivatization reaction was

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service