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3-(Methylthio)phenyl isothiocyanate

Name: 3-(Methylthio)phenyl isothiocyanate
Brand: ALDRICH

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About This Item

Linear Formula:

CH₃C₆H₄NCS

CAS Number:

51333-80-3

Molecular Weight:

181.28

MDL number:

MFCD00041079

UNSPSC Code:

12352100

PubChem Substance ID:

24878004

assay

97%

refractive index

n20/D >1.3930 (lit.)

bp

306-307 °C (lit.)

density

1.211 g/mL at 25 °C (lit.)

SMILES string

CSc1cccc(c1)N=C=S

InChI

1S/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

InChI key

IHKAGFVCXPFGRP-UHFFFAOYSA-N

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H315,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Analytical strategy based on the combination of gas chromatography coupled to time-of-flight and hybrid quadrupole time-of-flight mass analyzers for non-target analysis in food packaging.

L Cherta et al.

Food chemistry, 188, 301-308 (2015-06-05)

The potential of an advanced analytical strategy based on the use of gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS) with two different analyzers and ionization sources has been investigated and applied to the non-target analysis of food

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