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| CAS No.: | 697-89-2 |
|---|---|
| Name: | 2,6-DICHLORO-4-IODOANILINE |
| Molecular Structure: | |
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| 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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- Total:12 Page 1 of 1 1
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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. |