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Basic Information
CAS No.: 26621-44-3
Name: 3-Nitro-1H-pyrazole
Article Data: 39
Molecular Structure:
Molecular Structure of 26621-44-3 (3-Nitro-1H-pyrazole)
Formula: C3H3N3O2
Molecular Weight: 113.076
Synonyms: Pyrazole,3-nitro- (8CI);5-Nitropyrazole;
EINECS: 640-509-0
Density: 1.553 g/cm3
Melting Point: 173-175 °C
Boiling Point: 333.962 °C at 760 mmHg
Flash Point: 155.775 °C
Appearance: light brown powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 22-26-36/37/39
PSA: 74.50000
LogP: 0.84110
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Chemistry

IUPAC Name: 5-Nitro-1H-pyrazole
Synonyms of 1H-Pyrazole, 3-nitro- (CAS NO.26621-44-3): Djw 94 ; 3-Nitropyrazole ; Djw-94
CAS NO: 26621-44-3
Molecular Formula of 1H-Pyrazole, 3-nitro- (CAS NO.26621-44-3): C3H3N3O2
Molecular Weight: 113.0748
Molecular Structure:

Melting point: 173-175 °C 
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 63.64 Å2
Index of Refraction: 1.612
Molar Refractivity: 25.32 cm3
Molar Volume: 72.8 cm3
Surface Tension: 78.1 dyne/cm
Density of 1H-Pyrazole, 3-nitro- (CAS NO.26621-44-3): 1.552 g/cm3
Flash Point: 155.8 °C
Enthalpy of Vaporization: 55.4 kJ/mol
Boiling Point: 334 °C at 760 mmHg
Vapour Pressure: 0.000256 mmHg at 25°C

Safety Profile

Hazard Codes: HarmfulXn 
Risk Statements: 22-36/37/38 
R22: Harmful if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39 
S22: Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
HazardClass: IRRITANT