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Basic Information
CAS No.: 20691-72-9
Name: 4-Iodo-2-nitroaniline
Article Data: 46
Molecular Structure:
Molecular Structure of 20691-72-9 (4-Iodo-2-nitroaniline)
Formula: C6H5IN2O2
Molecular Weight: 264.022
Synonyms: Aniline,4-iodo-2-nitro- (7CI,8CI);
Density: 2.102 g/cm3
Melting Point: 120-123 ºC
Boiling Point: 352.917 °C at 760 mmHg
Flash Point: 167.239 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-43
Safety: 36/37
PSA: 71.84000
LogP: 2.88600
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Chemistry

Empirical Formula: C6H5IN2O2
Molecular Weight: 264.0206g/mol
Structure of 4-Iodo-2-nitroaniline (CAS NO.20691-72-9):

Index of Refraction: 1.726
Molar Refractivity: 49.94 cm3
Molar Volume: 125.6 cm3
 Polarizability: 19.79×10-24cm3
Surface Tension: 70.6 dyne/cm
Density: 2.101 g/cm3
Flash Point: 167.2 °C
Enthalpy of Vaporization: 59.78 kJ/mol 
Melting Point: 120-123 °C(lit.)
Boiling Point: 352.9 °C at 760 mmHg
Vapour Pressure: 3.71E-05 mmHg at 25°C 
Systematic Name: 4-iodo-2-nitroaniline
SMILES: O=[N+]([O-])c1cc(I)ccc1N
InChI: InChI=1/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey: QVCRSYXVWPPBFJ-UHFFFAOYAQ

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-43 
R22:Harmful if swallowed. 
R43:May cause sensitization by skin contact.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 2

Specification

  4-Iodo-2-nitroaniline , its cas register number is 20691-72-9. It also can be called Benzenamine, 4-iodo-2-nitro- . 4-Iodo-2-nitroaniline (CAS NO.20691-72-9) is harmful if swallowed. And it may cause sensitization by skin contact.