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3-Nitrobenzenethiol
[CAS# 3814-18-4]

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Identification
Name 3-Nitrobenzenethiol
Synonyms Nsc53643
Molecular Structure CAS#: 3814-18-4, 3-Nitrobenzenethiol
Molecular Formula C6H5NO2S
Molecular Weight 155.17
CAS Registry Number 3814-18-4
SMILES C1=CC=C(C=C1S)[N+]([O-])=O
InChI 1S/C6H5NO2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H
InChIKey HBCSOCHVMJKLLO-UHFFFAOYSA-N
Properties
Density 1.363g/cm3 (Cal.)
Boiling point 256.818°C at 760 mmHg (Cal.)
Flash point 109.12°C (Cal.)
References
(1) D. Cannon, C. Glidewell, J.N. Low, J.L. Wardell. Bis(3-nitrophenyl) disulfide forms no C-H...O hydrogen bonds, Acta Cryst C 2000 Volume 56 Part 10 Page 1267-1268
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