253723
o-Tolyl isothiocyanate
99%
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About This Item
Linear Formula:
CH3C6H4NCS
CAS Number:
Molecular Weight:
149.21
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
210-390-6
MDL number:
assay
99%
refractive index
n20/D 1.6361 (lit.)
bp
239 °C (lit.)
density
1.115 g/mL at 25 °C (lit.)
SMILES string
Cc1ccccc1N=C=S
InChI
1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChI key
JYKYYPPZLPVIBY-UHFFFAOYSA-N
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - 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
226.4 °F - closed cup
flash_point_c
108 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Aldjia Hadroug et al.
Natural product research, 33(9), 1334-1339 (2018-05-17)
A new coumarin-secoiridoid diglucoside, named Isofraxisecoside, was isolated from the stem bark of Fraxinus xanthoxyloides (G. Don) Wall. ex A. DC. along with nine known compounds. The structure of new compound has been determined on the basis of 1H, 13C
Fenghua Li et al.
Phytochemistry, 163, 23-32 (2019-04-16)
The 95% ethanol extract and its EtOAc and n-BuOH fractions obtained from the leaves and twigs of Schefflera rubriflora C. J. Tseng & G. Hoo showed significant inhibitory activities (33.6%, 35.7% and 40.6%, respectively) against croton oil-induced ear inflammation in
Yue Hu et al.
Natural product research, 32(19), 2312-2318 (2017-12-05)
A new C-glycosyl flavone, Chrysin-8-C-(2″-O-β-6-deoxy-glucopyranosyl)-β-D-glucopyranoside (1), a new neolignan glycoside, citrusin G (2), as well as 15 known compounds (3-17) were isolated from the peel of Passiflora edulis Sims. The structure determinations were primarily based on comprehensive spectroscopic analyses, and