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Name	5-Nitrobenzothiazole	EINECS	N/A
CAS No.	2942-07-6	Density	1.525 g/cm³
PSA	86.95000	LogP	2.72770
Solubility	N/A	Melting Point	163-164℃
Formula	C₇H₄N₂O₂S	Boiling Point	333.7 °C at 760 mmHg
Molecular Weight	180.187	Flash Point	155.6 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	5-nitro-1,3-benzothiazole (IM OCS);5-nitro-1,3-benzothiazole;1/C7H4N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4;benzothiazole, 5-nitro-;	Article Data	17

5-Nitrobenzothiazole Specification

The 5-Nitrobenzothiazole, with the CAS registry number 2942-07-6, is also known as 1,3-Benzothiazole, 5-nitro. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₇H₄N₂O₂S and molecular weight is 180.18386. Its IUPAC name is called 5-nitro-1,3-benzothiazole.

Physical properties of 5-Nitrobenzothiazole: (1)ACD/LogP: 1.74; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.729; (5)Molar Refractivity: 47.11 cm³; (6)Molar Volume: 118 cm³; (7)Surface Tension: 71.9 dyne/cm; (8)Density: 1.525 g/cm³; (9)Flash Point: 155.6 °C; (10)Enthalpy of Vaporization: 55.37 kJ/mol; (11)Boiling Point: 333.7 °C at 760 mmHg; (12)Vapour Pressure: 0.000261 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=CS2
(2)InChI: InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H
(3)InChIKey: AEUQLELVLDMMKB-UHFFFAOYSA-N

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