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105752-05-4

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Basic Information
CAS No.: 105752-05-4
Name: 4-IODO-3-NITRO-N,N-DIMETHYLANILINE
Molecular Structure:
Molecular Structure of 105752-05-4 (4-IODO-3-NITRO-N,N-DIMETHYLANILINE)
Formula: C8H9IN2O2
Molecular Weight: 292.07
Synonyms: 4-Iodo-3-nitro-N,N-dimethylaniline;4-Iodo-N,N-dimethyl-3-nitroaniline;
Density: 1.81 g/cm3
Boiling Point: 347.8 °C at 760 mmHg
Flash Point: 164.2 °C
PSA: 49.06000
LogP: 2.78860
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Specification

The Benzenamine,4-iodo-N,N-dimethyl-3-nitro-, with the CAS registry number 105752-05-4, is also known as 4-Iodo-3-nitro-N,N-dimethylaniline. This chemical's molecular formula is C8H9IN2O2 and molecular weight is 292.07. What's more, its IUPAC name is 4-Iodo-N,N-dimethyl-3-nitroaniline.

Physical properties of Benzenamine,4-iodo-N,N-dimethyl-3-nitro- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 563.36; (6)ACD/BCF (pH 7.4): 563.43; (7)ACD/KOC (pH 5.5): 3240.38; (8)ACD/KOC (pH 7.4): 3240.83; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 60.01 cm3; (15)Molar Volume: 161.3 cm3; (16)Polarizability: 23.79×10-24 cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.81 g/cm3; (19)Flash Point: 164.2 °C; (20)Enthalpy of Vaporization: 59.21 kJ/mol; (21)Boiling Point: 347.8 °C at 760 mmHg; (22)Vapour Pressure: 5.24E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C1=CC(=C(C=C1)I)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H9IN2O2/c1-10(2)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3
(3)InChIKey: MYLVCQNCGKYFJH-UHFFFAOYSA-N