C72404
2-Chlorothioxanthen-9-one
98%
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About This Item
Empirical Formula (Hill Notation):
C13H7ClOS
CAS Number:
Molecular Weight:
246.71
NACRES:
NA.23
PubChem Substance ID:
UNSPSC Code:
12162002
EC Number:
201-667-2
MDL number:
InChI key
ZCDADJXRUCOCJE-UHFFFAOYSA-N
InChI
1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
SMILES string
Clc1ccc2Sc3ccccc3C(=O)c2c1
assay
98%
form
powder
mp
153-154 °C (lit.)
signalword
Warning
hcodes
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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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
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