6-Nitrobenzothiazole
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6-Nitrobenzothiazole
structure -
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CAS No:
2942-06-5
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Formula:
C7H4N2O2S
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Chemical Name:
6-Nitrobenzothiazole
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Synonyms:
Benzothiazole,6-nitro-;6-Nitrobenzothiazole;NSC 170646
- Categories:
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CAS No:
6-Nitrobenzothiazole Basic Attributes
180.181
180.18
220-933-9
VC88LFV9C3
170646
DTXSID10183636
2934999090
Characteristics
87
1.8
1.5±0.1 g/cm3
173-174 °C @ Solvent: Ethanol
333.7±15.0 °C at 760 mmHg
155.6±20.4 °C
1.730
Refrigerator
0.000261mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:180.19
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Exact Mass:179.99934855
Monoisotopic Mass:179.99934855
Topological Polar Surface Area:87
Heavy Atom Count:12
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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