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Structure

9-Oxo-9H-thioxanthene-3-carbonitrile-10,10-dioxide

CAS
51762-94-8
Catalog Number
ACM51762948
Category
Other Products
Molecular Weight
269.28
Molecular Formula
C14H7NO3S

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Specification

Synonyms
346349_ALDRICH, ZINC00155290, EINECS 257-396-5, CID103957, SBB009962, 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide, 51762-94-8
IUPAC Name
9,10,10-trioxothioxanthene-3-carbonitrile
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C#N
InChI Key
KFTPXAFBDZWJNK-UHFFFAOYSA-N
Boiling Point
544.9ºC at 760 mmHg
Melting Point
280-282ºC(lit.)
Flash Point
283.3ºC
Density
1.55g/cm³
EC Number
257-396-5
Exact Mass
269.01500
Hazard Statements
Xn
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36
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