533912
3-(Methylthio)phenyl isothiocyanate
97%
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About This Item
Linear Formula:
CH3C6H4NCS
CAS Number:
Molecular Weight:
181.28
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
InChI
1S/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
SMILES string
CSc1cccc(c1)N=C=S
InChI key
IHKAGFVCXPFGRP-UHFFFAOYSA-N
assay
97%
refractive index
n20/D >1.3930 (lit.)
bp
306-307 °C (lit.)
density
1.211 g/mL at 25 °C (lit.)
signalword
Danger
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
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
Regulatory Information
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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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