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2-(Nitromethyl)-1,3-Benzothiazole
[CAS# 22918-12-3]

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Identification
Name 2-(Nitromethyl)-1,3-Benzothiazole
Synonyms 2-(nitromethyl)benzo[d]thiazole
Molecular Structure CAS#: 22918-12-3, 2-(Nitromethyl)-1,3-Benzothiazole
Molecular Formula C8H6N2O2S
Molecular Weight 194.21
CAS Registry Number 22918-12-3
SMILES C1=CC=C2C(=C1)N=C(S2)C[N+](=O)[O-]
InChI 1S/C8H6N2O2S/c11-10(12)5-8-9-6-3-1-2-4-7(6)13-8/h1-4H,5H2
InChIKey NCKNQXFFSLJPFV-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 331.7±25.0°C at 760 mmHg (Cal.)
Flash point 154.4±23.2°C (Cal.)
Refractive index 1.686 (Cal.)
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