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4,4'-(1,3-Phenylenedioxy)dianiline

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Name

4,4'-(1,3-Phenylenedioxy)dianiline

EINECS 628-902-5
CAS No. 2479-46-1 Density 1.243 g/cm3
PSA 70.50000 LogP 5.59800
Solubility N/A Melting Point 115-118 °C(lit.)
Formula C18H16N2O2 Boiling Point 487.3 °C at 760 mmHg
Molecular Weight 292.337 Flash Point 270.9 °C
Transport Information N/A Appearance Almost white or pale yellow powder
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 2479-46-1 (4,4'-(1,3-Phenylenedioxy)dianiline) Hazard Symbols HarmfulXn
Synonyms

Aniline,4,4'-(m-phenylenedioxy)di- (7CI,8CI);1,3-Bis(4-aminophenoxy)benzene;1,3-Phenylene bis(p-aminophenyl) ether;4,4'-(m-Phenylenedioxy)dianiline;RODA;TPE-R;m-Bis(p-aminophenoxy)benzene;

Article Data 8

4,4'-(1,3-Phenylenedioxy)dianiline Specification

The IUPAC name of Resorcinol oxydianiline is 4-[3-(4-aminophenoxy)phenoxy]aniline . With the CAS registry number 2479-46-1, it is also named as 1,3-Bis(4-aminophenoxy)benzene ; 1,3-Phenylene-di-4-aminophenyl ether ; 4,4'-(m-Phenylenedioxy)dianiline ; BRN 0423316 ; Benzenamine, 4,4'-(1,3-phenylenebis(oxy))bis- ; CCRIS 6684 ; RODA ; Aniline, p,p'-(m-phenylenedioxy)di- . The product belongs to electronic chemicals, miscellaneous, diphenyl ethers (for high-performance polymer research), functional materials, reagent for high-performance polymer research, amine monomers, monomers ans primary amines.

The Resorcinol oxydianiline is almost white or pale yellow powder. When heated to decomposition it emits toxic vapors of NOx. It is harmful if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

The Resorcinol oxydianiline can be used in the organic synthesis. For exampe: It can react with 4-chloro-phthalic acid anhydride to get 2-{4-[3-(4-amino-phenoxy)-phenoxy]-phenyl}-5-chloro-isoindole-1,3-dione and 1,3-bis[4-(4-chlorophthalimido)phenoxy]benzene .

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.50 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.36 ; (4)ACD/LogD (pH 7.4): 2.5 ; (5)ACD/BCF (pH 5.5): 33.71 ; (6)ACD/BCF (pH 7.4): 46.62 ; (7)ACD/KOC (pH 5.5): 393.21 ; (8)ACD/KOC (pH 7.4): 543.79 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 4 ; (11)#Freely Rotating Bonds: 6 ; (12)Index of Refraction: 1.667 ; (13)Molar Refractivity: 87.61 cm3 ; (14)Molar Volume: 235.1 cm3 ; (15)Polarizability: 34.73×10-24 cm3 ; (16)Surface Tension: 55.2 dyne/cm ; (17)Enthalpy of Vaporization: 75.32 kJ/mol ; (18)Vapour Pressure: 1.2E-09 mmHg at 25°C ; (19)Rotatable Bond Count: 4 ; (20)Exact Mass: 292.121178 ; (21)MonoIsotopic Mass: 292.121178 ; (22)Topological Polar Surface Area: 70.5 ; (23)Heavy Atom Count: 22.

People can use the following data to convert to the molecule structure. SMILES: O(c1ccc(N)cc1)c3cccc(Oc2ccc(N)cc2)c3; InChI: InChI=1/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2. Resorcinol oxydianiline has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..

The following is the toxicity data which has been tested. 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 690mg/kg (690mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0790-0898S,

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