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C72404

2-Chlorothioxanthen-9-one

98%

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About This Item

Empirical Formula (Hill Notation):
C13H7ClOS
CAS Number:
86-39-5
Molecular Weight:
246.71
NACRES:
NA.23
PubChem Substance ID:
24892945
UNSPSC Code:
12162002
EC Number:
201-667-2
MDL number:
MFCD00005067
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assay

98%

form

powder

mp

153-154 °C (lit.)

SMILES string

Clc1ccc2Sc3ccccc3C(=O)c2c1

InChI

1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

InChI key

ZCDADJXRUCOCJE-UHFFFAOYSA-N

pictograms

Flame
GHS02

signalword

Warning

hcodes

H228

Hazard Classifications

Flam. Sol. 2

Storage Class

4.1B - Flammable solid hazardous materials

wgk

WGK 3

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
00512CP
09518TB
07608MO
19819CO
17720DO

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J E Pettersen et al.
Journal of pharmaceutical sciences, 70(7), 812-813 (1981-07-01)
In gastric aspirate from a case of severe chlorprothixene poisoning, large amounts (approximately 30% of the chlorprothixene) of a previously unrecognized compound were found and identified tentatively as 2-chlorothioxanthen-9-one by combined GLC-low-resolution mass spectrometry and high-resolution mass spectrometry. The identity

Global Trade Item Number

SKUGTIN
C72404-5G04061833512005