CAS No.697-90-5,2,4-DICHLOROANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	697-90-5
Name:	2,4-DICHLOROANILINE
Article Data:	5

Formula:	C₆H₄Cl₂IN
Molecular Weight:	287.915
Synonyms:	Aniline,2,4-dichloro-6-iodo- (7CI,8CI);2,4-Dichloro-6-iodoaniline;
EINECS:	209-057-8
Density:	2.091 g/cm³
Melting Point:	59-62 °C(lit.)
Boiling Point:	303.8 °C at 760 mmHg
Flash Point:	137.5 °C
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:	23/24/25-33-50/53
Safety:	28-36/37-45-60-61
PSA:	26.02000
LogP:	3.76140

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Specification

The CAS register number of 2,4-Dichloro-6-iodoaniline is 697-90-5. It also can be called as Benzenamine,2,4-dichloro-6-iodo- and the systematic name about this chemical is 2,4-dichloro-6-iodoaniline. The molecular formula about this chemical is C₆H₄Cl₂IN and the molecular weight is 287.9131.

Physical properties about 2,4-Dichloro-6-iodoaniline are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 156.56; (5)ACD/BCF (pH 7.4): 156.56; (6)ACD/KOC (pH 5.5): 1295.86; (7)ACD/KOC (pH 7.4): 1295.86; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24Å²; (12)Index of Refraction: 1.699; (13)Molar Refractivity: 53.18 cm³; (14)Molar Volume: 137.6 cm³; (15)Polarizability: 21.08x10^-24cm³; (16)Surface Tension: 58.2 dyne/cm; (17)Enthalpy of Vaporization: 54.41 kJ/mol; (18)Boiling Point: 303.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000911 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(Cl)cc(Cl)c1N
(2)InChI: InChI=1/C6H4Cl2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
(3)InChIKey: YJRSMJTVXWBFJJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H4Cl2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
(5)Std. InChIKey: YJRSMJTVXWBFJJ-UHFFFAOYSA-N