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50877-42-4

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Basic Information
CAS No.: 50877-42-4
Name: 1-Benzyl-4-iodo-1H-pyrazole
Article Data: 14
Molecular Structure:
Molecular Structure of 50877-42-4 (1-Benzyl-4-iodo-1H-pyrazole)
Formula: C10H9IN2
Molecular Weight: 284.099
Synonyms: 1-Benzyl-4-iodopyrazole;
Density: 1.67 g/cm3
Melting Point: 63-66 °C
Boiling Point: 367.1 °C at 760 mmHg
Flash Point: 175.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-41
Safety: 26-36-39
PSA: 17.82000
LogP: 2.53600
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Chemistry

Molecular Structure of 1-Benzyl-4-iodo-1H-pyrazole (CAS NO.50877-42-4):

IUPAC Name: 1-benzyl-4-iodopyrazole 
Empirical Formula: C10H9IN2
Molecular Weight: 284.0963
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.82 Å2
Index of Refraction: 1.667
Molar Refractivity: 63.19 cm3
Molar Volume: 169.6 cm3
Surface Tension: 48.4 dyne/cm
Density: 1.67 g/cm3
Flash Point: 175.8 °C
Enthalpy of Vaporization: 58.95 kJ/mol
Boiling Point: 367.1 °C at 760 mmHg
Vapour Pressure: 2.95E-05 mmHg at 25°C
Melting point: 63-66°C
Product Categories: Halides; Pyrazoles & Triazoles; Halogenated;Organohalides; Pyrazole; Pyrazoles & Triazoles; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles; PyrazolesHeterocyclic Building Blocks

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38-41-37/38
R36/37/38:Irritating to eyes, respiratory system and skin. 
R41:Risk of serious damage to the eyes. 
R37/38:Irritating to respiratory system and skin.
Safety Statements: 26-36-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S39:Wear eye / face protection.
Hazard Note: Irritant
HazardClass: Irritant 

Specification

  1-Benzyl-4-iodo-1H-pyrazole , with CAS number of 50877-42-4, can be called 1-Benzyl-4-iodo-1h-pyrazole ; 1H-(n-benzyl)-4-iodopyrazole ; 1-Benzyl-4-iodo-1H-pyraole ; benzyl-4-iodo-1H-pyrazole ; 1H-pyrazole, 4-iodo-1-(phenylmethyl)- .