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121669-70-3

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Basic Information
CAS No.: 121669-70-3
Name: tert-Butyl 4-iodopyrazole-1-carboxylate
Article Data: 12
Molecular Structure:
Molecular Structure of 121669-70-3 (tert-Butyl 4-iodopyrazole-1-carboxylate)
Formula: C8H11IN2O2
Molecular Weight: 294.092
Synonyms: 2-Methyl-2-propanyl 4-iodo-1H-pyrazole-1-carboxylate;
Density: 1.705 g/cm3
Melting Point: 67-70 °C
Boiling Point: 311.991 °C at 760 mmHg
Flash Point: 142.488 °C
Hazard Symbols: R36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 44.12000
LogP: 2.27090
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Chemistry

IUPAC Name: Tert-butyl 4-iodopyrazole-1-carboxylate
Systematic of 1H-Pyrazole-1-carboxylicacid, 4-iodo-, 1,1-dimethylethyl ester (CAS NO.121669-70-3): T-butyl 4-iodo-1h-pyrazole-1-carboxylate ; Tert-butyl 4-iodopyrazole-1-carboxylate ; 4-Iodo-pyrazole-1-carboxylic acid tert-butyl ester ; 1-Boc-4-iodopyrazole ; Tert-Butyl-4-iodo-1H-pyrazole-1-carboxylate
CAS NO: 121669-70-3
Molecular Formula of 1H-Pyrazole-1-carboxylicacid, 4-iodo-, 1,1-dimethylethyl ester (CAS NO.121669-70-3): C8H11IN2O2
Molecular Weight: 294.0896
Molecular Structure:

Melting Point: 67-70 °C 
H bond acceptors: 4 
Freely Rotating Bonds: 2
Polar Surface Area: 44.12 Å2
Index of Refraction: 1.596
Molar Refractivity: 58.74 cm3
Molar Volume: 172.4 cm3
Surface Tension: 43.2 dyne/cm
Density of 1H-Pyrazole-1-carboxylicacid, 4-iodo-, 1,1-dimethylethyl ester (CAS NO.121669-70-3): 1.7 g/cm3
Flash Point: 142.5 °C
Enthalpy of Vaporization: 55.3 kJ/mol
Boiling Point: 312 °C at 760 mmHg
Vapour Pressure: 0.000544 mmHg at 25°C

Safety Profile

Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
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.