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Home >> Chemical Listing >> Page 416 >> 3-Nitro-5-(Sulfanylmethyl)-1,2-Benzenediol

3-Nitro-5-(Sulfanylmethyl)-1,2-Benzenediol
[CAS# 137444-26-9]

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Identification
Name 3-Nitro-5-(Sulfanylmethyl)-1,2-Benzenediol
Synonyms 5-(mercaptomethyl)-3-nitrobenzene-1,2-diol
Molecular Structure CAS#: 137444-26-9, 3-Nitro-5-(Sulfanylmethyl)-1,2-Benzenediol
Molecular Formula C7H7NO4S
Molecular Weight 201.20
CAS Registry Number 137444-26-9
SMILES Oc1cc(CS)cc(N(=O)=O)c1O
InChI 1S/C7H7NO4S/c9-6-2-4(3-13)1-5(7(6)10)8(11)12/h1-2,9-10,13H,3H2
InChIKey HQKXEYUCNKNTMH-UHFFFAOYSA-N
Properties
Density 1.566g/cm3 (Cal.)
Boiling point 388.054°C at 760 mmHg (Cal.)
Flash point 188.488°C (Cal.)
Refractive index 1.694 (Cal.)
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