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(S)-(−)-α-Methylbenzyl isocyanate

Name: (<I>S</I>)-(−)-α-Methylbenzyl isocyanate
Brand: SIAL
Price: 5190 CZK

derivatization grade (chiral), LiChropur^™, ≥99.0%

Synonym(s):

(S)-(−)-1-Phenylethyl isocyanate

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Size/SKU	Availability	Price
1 mL	Please contact Customer Service for Availability	CZK 5,190.00
5 mL	Please contact Customer Service for Availability	CZK 21,900.00

About This Item

Linear Formula:

C₆H₅CH(CH₃)NCO

CAS Number:

14649-03-7

Molecular Weight:

147.17

UNSPSC Code:

23151817

NACRES:

NA.22

PubChem Substance ID:

329768061

EC Number:

238-698-6

Beilstein/REAXYS Number:

4230972

MDL number:

MFCD00002036

Assay:

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

Form:

liquid

CZK 5,190.00

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Properties

grade

derivatization grade (chiral)

Quality Segment

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

Description

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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

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1 of 1

This Item	220566	531324	220574
Supelco 77970 (S)-(−)-α-Methylbenzyl isocyanate	Sigma-Aldrich 220566 (S)-(−)-α-Methylbenzyl isocyanate	Sigma-Aldrich 531324 (S)-(−)-α-Methylbenzyl isocyanide	Sigma-Aldrich 220574 (R)-(+)-α-Methylbenzyl isocyanate
assay ≥99.0% (sum of enantiomers, GC)	assay 98%	assay 96%	assay 99%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 200
bp 55-56 °C/2.5 mmHg (lit.)	bp 55-56 °C/2.5 mmHg (lit.)	bp 220 °C (lit.)	bp 55-56 °C/2.5 mmHg (lit.)
storage temp. 2-8°C	storage temp. 2-8°C	storage temp. 2-8°C	storage temp. 2-8°C
refractive index n20/D 1.513, n20/D 1.5145 (lit.)	refractive index n20/D 1.5145 (lit.)	refractive index n20/D 1.506 (lit.)	refractive index n20/D 1.513 (lit.)
form liquid	form liquid	form -	form liquid

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pictograms

GHS06,GHS08

signalword

Danger

hcodes

H315,H317,H319,H330,H334,H335,H412

pcodes

P260 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338

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

WGK 3

flash_point_f

149.0 °F - closed cup

flash_point_c

65 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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