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697-89-2

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Basic Information
CAS No.: 697-89-2
Name: 2,6-DICHLORO-4-IODOANILINE
Article Data: 7
Molecular Structure:
Molecular Structure of 697-89-2 (2,6-DICHLORO-4-IODOANILINE)
Formula: C6H4Cl2IN
Molecular Weight: 287.915
Synonyms: Aniline,2,6-dichloro-4-iodo- (6CI,7CI,8CI);2,6-Dichloro-4-iodoaniline;Aniline, 2,6-dichloro-4-iodo-;
Density: 2.091 g/cm3
Boiling Point: 294 °C at 760 mmHg
Flash Point: 131.6 °C
PSA: 26.02000
LogP: 3.76140
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Specification

The Benzenamine,2,6-dichloro-4-iodo-, with the CAS registry number 697-89-2, is also known as Aniline, 2,6-dichloro-4-iodo-. This chemical's molecular formula is C6H4Cl2IN and molecular weight is 287.91. What's more, its IUPAC name is 2,6-dichloro-4-iodoaniline.

Physical properties of Benzenamine,2,6-dichloro-4-iodo- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 220.49; (6)ACD/BCF (pH 7.4): 220.49; (7)ACD/KOC (pH 5.5): 1655.76; (8)ACD/KOC (pH 7.4): 1655.76; (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: 1.699; (14)Molar Refractivity: 53.18 cm3; (15)Molar Volume: 137.6 cm3; (16)Polarizability: 21.08×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 2.091 g/cm3; (19)Flash Point: 131.6 °C; (20)Enthalpy of Vaporization: 53.37 kJ/mol; (21)Boiling Point: 294 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)N)Cl)I
(2)InChI: InChI=1S/C6H4Cl2IN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
(3)InChIKey: IVCYDUGLECLFHS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02931.