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1457-42-7

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Basic Information
CAS No.: 1457-42-7
Name: Pyridazine N-oxide
Article Data: 18
Molecular Structure:
Molecular Structure of 1457-42-7 (Pyridazine N-oxide)
Formula: C4H4 N2 O
Molecular Weight: 96.0886
Synonyms: NSC 343739;Pyridazine N-oxide;Pyridazine oxide;
EINECS: 200-001-2
Density: 1.19g/cm3
Melting Point: 298-305 ºC
Boiling Point: 210.7°Cat760mmHg
Flash Point: 81.2°C
Hazard Symbols:
Risk Codes: R22;R37/38;R41   
Safety:
Hazard Codes Xn
Risk Statements 22-37/38-41
Safety Statements 26-39
PSA: 38.35000
LogP: 0.51010
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Specification

The Pyridazine N-oxide, with the cas registry number 1457-42-7, has the IUPAC name of 1-oxidopyridazin-1-ium.

The characteristics of this chemical are as followings: (1)ACD/LogP: -2.11; (2)ACD/LogD (pH 5.5): -2.11; (3)ACD/LogD (pH 7.4): -2.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.7; (7)ACD/KOC (pH 7.4): 1.7; (8)#H bond acceptors: 3; (9)Polar Surface Area: 37; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 26.28 cm3; (12)Molar Volume: 80.7 cm3; (13)Polarizability: 10.42×10-24 cm3; (14)Surface Tension: 49 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 81.2 °C; (17)Enthalpy of Vaporization: 42.88 kJ/mol; (18)Boiling Point: 210.7 °C at 760 mmHg; (19)Vapour Pressure: 0.275 mmHg at 25°C; (20)Exact Mass 96.032363; (21)MonoIsotopic Mass 96.032363; (22)Topological Polar Surface Area 38.4; (23)Heavy Atom Count 7; (24)Complexity 57.7.

You should be cautious while dealing with this chemical. For being a kind of harmful chemical, it is irritating to respiratory system and skin, and it may have risk of serious damage to eyes. Besides, it  may cause damage to health, and if swallowed, it is very dangerous . So while using, you had better take the following instructions. Wear eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:[O-][n+]1ncccc1
(2)InChI:InChI=1/C4H4N2O/c7-6-4-2-1-3-5-6/h1-4H
(3)InChIKey:GAJBWMUZVXJIBO-UHFFFAOYAQ