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Benzenamine,4-iodo-2,5-dimethyl-

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Name

Benzenamine,4-iodo-2,5-dimethyl-

EINECS N/A
CAS No. 117832-13-0 Density 1.688 g/cm3
PSA 26.02000 LogP 3.07140
Solubility N/A Melting Point N/A
Formula C8H10I Boiling Point 290.7 °C at 760 mmHg
Molecular Weight 247.079 Flash Point 129.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 117832-13-0 (2,5-DIMETHYL-4-IODOANILINE) Hazard Symbols Xi
Synonyms

2,5-Dimethyl-4-iodoaniline;4-Iodo-2,5-dimethylaniline;(4-Iodo-2,5-dimethylphenyl)amine;

Article Data 8

Benzenamine,4-iodo-2,5-dimethyl- 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

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