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3-Aminopyrazole-4-carboxylic acid

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Name

3-Aminopyrazole-4-carboxylic acid

EINECS 255-493-7
CAS No. 41680-34-6 Density 1.677 g/cm3
PSA 92.00000 LogP 0.27130
Solubility N/A Melting Point 135 °C (dec.)(lit.)
Formula C4H5N3O2 Boiling Point 502.73 °C at 760 mmHg
Molecular Weight 127.103 Flash Point 257.842 °C
Transport Information N/A Appearance Almost white to beige crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 41680-34-6 (3-Aminopyrazole-4-carboxylic acid) Hazard Symbols IrritantXi
Synonyms

3-Amino-1H-pyrazole-4-carboxylicacid;3-Amino-4-carboxypyrazole;NSC 89246;

Article Data 3

3-Aminopyrazole-4-carboxylic acid Chemical Properties

IUPAC Name: 5-Amino-1H-pyrazole-4-carboxylic acid
Systematic of 1H-Pyrazole-4-carboxylicacid, 3-amino- (CAS NO.41680-34-6): 3-Amino-1H-pyrazole-4-carboxylic acid ; 3-Amino-4-carboxypyrazole ; 3-Aminopyrazole-4-carboxylic acid ; EINECS 255-493-7 ; NSC 89246 ; Pyrazole-4-carboxylic acid, 3-amino- ; 1H-Pyrazole-4-carboxylic acid, 3-amino- (9CI) ; 4-Pyrazolecarboxylic acid, 3-amino-
CAS NO: 41680-34-6
Molecular Formula of 1H-Pyrazole-4-carboxylicacid, 3-amino- (CAS NO.41680-34-6): C4H5N3O2
Molecular Weight: 127.1014
Molecular Structure:

Melting Point: 135 °C 
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 47.36 ?2
Index of Refraction: 1.72
Molar Refractivity: 29.94 cm3
Molar Volume: 75.7 cm3
Surface Tension: 116.4 dyne/cm
Density of 1H-Pyrazole-4-carboxylicacid, 3-amino- (CAS NO.41680-34-6): 1.677 g/cm3
Flash Point: 257.8 °C
Enthalpy of Vaporization: 81.28 kJ/mol
Boiling Point: 502.7 °C at 760 mmHg
Vapour Pressure: 6.29E-11 mmHg at 25°C

3-Aminopyrazole-4-carboxylic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04843,

3-Aminopyrazole-4-carboxylic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: UQ6390000

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