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4-NitronicotinicacidN-oxide

4-NitronicotinicacidN-oxide structure

CAS No:
1078-05-3
Formula:
C6H4N2O5
Chemical Name:
4-NitronicotinicacidN-oxide
Synonyms:
SPECSAI-942/25121065;4-NITRONICOTINICACIDN-OXIDE;3-Carboxy-4-nitropyridine1-oxide;4-NITROPYRIDINE-3-CARBOXYLICACIDN-OXIDE;3-PYRIDINECARBOXYLICACID,4-NITRO-,1-OXIDE;4-nitro-1-oxidopyridin-1-ium-3-carboxylicacid;4-nitro-1-oxido-pyridin-1-ium-3-carboxylicacid;4-nitro-1-oxidanidyl-pyridin-1-ium-3-carboxylicacid

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4-NitronicotinicacidN-oxide Basic Attributes

Molecular Weight：

184.106

Exact Mass：

184.012024

NSC Number：

51401

DSSTox ID：

DTXSID00287511

Characteristics

PSA：

108.58000

XLogP3：

-0.94

Density：

1.7±0.1 g/cm3

Melting Point：

170-172ºC

Boiling Point：

553.6±35.0 °C at 760 mmHg

Flash Point：

288.6±25.9 °C

Refractive Index：

1.654

Vapor Pressure：

4.33E-13mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S22-S26-S36/37/39-S45

Computed Properties

Molecular Weight:184.11
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:184.01202123
Monoisotopic Mass:184.01202123
Topological Polar Surface Area:109
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-NitronicotinicacidN-oxide

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-NitronicotinicacidN-oxide

SDS

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