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253723

Sigma-Aldrich

o-Tolyl isothiocyanate

99%

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About This Item

Linear Formula:
CH3C6H4NCS
CAS Number:
614-69-7
Molecular Weight:
149.21
EC Number:
210-390-6
MDL number:
MFCD00004802
UNSPSC Code:
12352100
PubChem Substance ID:
24855323

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

pictograms

Exclamation mark
GHS07

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_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
08914KH
16802DS
09311LO
07630JT
07605LI

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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
De-Yang Shen et al.
Journal of natural medicines, 71(1), 96-104 (2016-08-20)
Five new acyclic amides, clausenalansamides C-G (1-5), clausenaline G (6) and (±)-5-(4-methylphenyl)-γ-valerolactone (7) reported from the natural source for the first time, were characterized from the leaves of Clausena lansium. Their structures were established by spectroscopic and spectrometric methods, and
Juan Li et al.
Journal of ginseng research, 43(3), 377-384 (2019-07-17)
Inflammation is widespread in the clinical pathology and closely associated to the progress of many diseases. Triterpenoid saponins as a key group of active ingredients in Panax notoginseng (Burk.) F.H. Chen were demonstrated to show antiinflammatory effects. However, the chemical
Le Duc Dat et al.
Archives of pharmacal research, 40(3), 311-317 (2016-12-31)
Twelve saponins were isolated from the leaves of Acanthopanax koreanum, including one new lupane-type triterpene glycoside, named acankoreoside R (1), together with 11 known triterpenoid saponins (2-12). Their structures were elucidated by 1D and 2D nuclear magnetic resonance (NMR), mass
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
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