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Tris(4-Iodophenyl)amine

Tris(4-Iodophenyl)amine structure

CAS No:
4181-20-8
Formula:
C18H12I3N
Chemical Name:
Tris(4-Iodophenyl)amine
Synonyms:
Tris(4-iodophenyl)amine;Tris-(4-Iodophenyl)Amine;4-iodo-N,N-bis(4-iodophenyl)aniline;Trisiodophenylamine;Tris-(4-iodo-phenyl)-amine;PubChem19658;tris(p-iodophenyl)amine;ACMC-209jlv;KSC235O2H;SCHEMBL985323
Categories:
Organic Chemistry > Coordination Complexes

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Description

Light brown crystalline powder

Tris(4-Iodophenyl)amine Basic Attributes

Molecular Weight：

623.014

Exact Mass：

622.810364

DSSTox ID：

DTXSID50430979

HScode：

2921499090

Characteristics

PSA：

3.2

XLogP3：

7.1

Appearance：

light brown crystalline powder

Density：

2.2±0.1 g/cm3

Melting Point：

167 °C

Boiling Point：

559.5°C at 760 mmHg

Flash Point：

292.2±28.7 °C

Refractive Index：

1.767

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Tris(4-Iodophenyl)amine Use and Manufacturing

Synthesis Example 4Tris(4-iodophenyl)amine was prepared as follows. Firstly, a mixture of IPyA mixture of 5.3 g (14.3 mmol, 3.5 eq.) of bis(pyridine)iodonium tetrafluoroborate (IPyA mixture of triphenylamine (1 g, 0.004 mmol), HgO (4.06 g, 0.019 mmol) and IAt room temperature, 24.5 g of triphenylamine, 300 mL of anhydrous ethanol, and 70 g of mercury oxide were added to the reaction system.Stir at room temperature for 1 h. Then 80 g of iodine was added and the reaction was maintained at room temperature for 12 h.The reaction mixture was distilled under reduced pressure and ethanol was recovered. 300 mL of benzene was added to the solid phase for recrystallization.A white crystalline product, tris-(4-iodophenyl)amine, was obtained, yield 56 g, yield 90percent.Tris(4-iodophenyl)amine (1).

Computed Properties

Molecular Weight:623.0
XLogP3:7.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:622.8104
Monoisotopic Mass:622.8104
Topological Polar Surface Area:3.2
Heavy Atom Count:22
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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