533912
3-(Methylthio)phenyl isothiocyanate
97%
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About This Item
Linear Formula:
CH3C6H4NCS
CAS Number:
Molecular Weight:
181.28
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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