Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

726761

Sigma-Aldrich

(S)-(−)-α-Methylbenzyl isocyanate

produced by BASF, ChiPros®, ≥99.0%

Synonym(s):

(S)-(−)-1-Phenylethyl isocyanate

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6H5CH(CH3)NCO
CAS Number:
14649-03-7
Molecular Weight:
147.17
Beilstein/REAXYS Number:
4230972
EC Number:
238-698-6
MDL number:
MFCD00002036
UNSPSC Code:
12352118
PubChem Substance ID:
329764264

grade

produced by BASF

assay

≥99.0% (GC)
≥99.0%

form

liquid

optical purity

enantiomeric excess: ≥98.5%

refractive index

n20/D 1.5145 (lit.)

bp

55-56 °C/2.5 mmHg (lit.)

density

1.045 g/mL at 20 °C (lit.)

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

Legal Information

ChiPros is a registered trademark of BASF SE

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

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

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

149.0 °F - closed cup

flash_point_c

65 °C - closed cup

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCBD0963V
BCBD0963

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

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

Visit the Document Library

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
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)

Questions

Reviews

No rating value

Active Filters

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