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117832-13-0

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Basic Information
CAS No.: 117832-13-0
Name: 2,5-DIMETHYL-4-IODOANILINE
Article Data: 8
Molecular Structure:
Molecular Structure of 117832-13-0 (2,5-DIMETHYL-4-IODOANILINE)
Formula: C8H10I
Molecular Weight: 247.079
Synonyms: 2,5-Dimethyl-4-iodoaniline;4-Iodo-2,5-dimethylaniline;(4-Iodo-2,5-dimethylphenyl)amine;
Density: 1.688 g/cm3
Boiling Point: 290.7 °C at 760 mmHg
Flash Point: 129.6 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 26.02000
LogP: 3.07140
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Specification

The Benzenamine,4-iodo-2,5-dimethyl-, with the CAS registry number 117832-13-0, is also known as 2,5-Dimethyl-4-iodoaniline. This chemical's molecular formula is C8H10IN and molecular weight is 247.08. What's more, its systematic name is 4-iodo-2,5-dimethylaniline.

Physical properties of Benzenamine,4-iodo-2,5-dimethyl- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 172.99; (6)ACD/BCF (pH 7.4): 176.23; (7)ACD/KOC (pH 5.5): 1384.44; (8)ACD/KOC (pH 7.4): 1410.32; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 53.04 cm3; (15)Molar Volume: 146.3 cm3; (16)Polarizability: 21.02×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.688 g/cm3; (19)Flash Point: 129.6 °C; (20)Enthalpy of Vaporization: 53.01 kJ/mol; (21)Boiling Point: 290.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00203 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(cc(N)c(c1)C)C
(2)InChI: InChI=1S/C8H10IN/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
(3)InChIKey: JIJNBUOAWDGTHA-UHFFFAOYSA-N