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Merck
CN

89568

(−)-α-Methylbenzyl isothiocyanate

≥99.0%

Synonym(s):

(−)-1-Phenylethyl isothiocyanate

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About This Item

Empirical Formula (Hill Notation):
C9H9NS
CAS Number:
24277-44-9
Molecular Weight:
163.24
PubChem Substance ID:
329769748
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
6476424
MDL number:
MFCD00135478

Key Documents

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assay

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

SMILES string

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

InChI

1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1

InChI key

QQCJPTVZIZVKEZ-MRVPVSSYSA-N

grade

derivatization grade ((chiral))

optical purity

enantiomeric ratio: ≥97:3 (GC)

color

very deep yellow

storage temp.

2-8°C

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Derivatizing agent for HPLC; assay of enantiomeric purity of amines

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

150.8 °F - closed cup

flash_point_c

66 °C - closed cup

ppe

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

Regulatory Information

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J. Gal, A.J. Sedman
Journal of Chromatography A, 314, 275-275 (1984)
J Gal et al.
Chirality, 2(1), 43-51 (1990-01-01)
The search for new antiarrhythmic agents has been intense, because the established drugs for the treatment of cardiac arrhythmias are neither uniformly effective nor well-tolerated. Among the recently introduced new antiarrhythmic agents are tocainide (TOC), mexiletine (MEX), flecainide (FLE), and
D.J. Jeon et al.
Chemistry Letters (Jpn), 40-40 (2000)

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