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3491-12-1

Basic Information
CAS No.: 3491-12-1
Name: 1,4-Bis(4-aminophenoxy)benzene
Article Data: 10
Cas Database
Molecular Structure:
Molecular Structure of 3491-12-1 (1,4-Bis(4-aminophenoxy)benzene)
Formula: C18H16N2O2
Molecular Weight: 292.337
Synonyms: Aniline,4,4'-(p-phenylenedioxy)di- (6CI,7CI,8CI);1,4-Bis(4-aminophenoxy)benzene;1,4-Bis(p-aminophenoxy)benzene;4,4'-(p-Phenylenedioxy)dianiline;4,4'-[1,4-Phenylenebis(oxy)]bis[aniline];4,4'-[1,4-Phenylenebis(oxy)]bis[benzenamine];p-Bis(4-aminophenoxy)benzene;p-Phenylenebis(oxy-p-phenylene)diamine;
EINECS: 677-976-5
Density: 1.243 g/cm3
Melting Point: 173 °C
Boiling Point: 483.6 °C at 760mmHg
Flash Point: 267.8 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
Transport Information: N/A
PSA: 70.50000
LogP: 5.59800
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Specification

The IUPAC name of Benzenamine,4,4'-[1,4-phenylenebis(oxy)]bis- is 4-[4-(4-aminophenoxy)phenoxy]aniline . With the CAS registry number 3491-12-1, it is also named as 1,4-Phenylene-di-4-aminophenyl ether ; 4,4'-(p-Phenylenedioxy)dianiline ; 4-13-00-01028 (Beilstein Handbook Reference) ; BRN 0422398 ; CCRIS 6685 ; Aniline, p,p'-(p-phenylenedioxy)di- . The product's categories are Diphenyl Ethers (for High-Performance Polymer Research), Functional Materials and Reagent for High-Performance Polymer Research.

The Benzenamine,4,4'-[1,4-phenylenebis(oxy)]bis- is harmful by inhalation, in contact with skin and if swallowed. 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 eear suitable protective clothing, gloves and eye/face protection.

The Benzenamine,4,4'-[1,4-phenylenebis(oxy)]bis- can be used in the organic synthesis. For example: It can react with cyanoguanidine to obtain 2,2-dimethoxy-propane andC28H32N10O2*2ClH .

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.59 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.4 ; (4)ACD/LogD (pH 7.4): 2.58 ; (5)ACD/BCF (pH 5.5): 35.24 ; (6)ACD/BCF (pH 7.4): 54.19 ; (7)ACD/KOC (pH 5.5): 393.63 ; (8)ACD/KOC (pH 7.4): 605.3 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 4 ; (11)#Freely Rotating Bonds: 6 ; (12)Polar Surface Area: 24.94 ?2 ; (13)Index of Refraction: 1.667 ; (14)Molar Refractivity: 87.61 cm3 ; (15)Molar Volume: 235.1 cm3 ; (16)Polarizability: 34.73×10-24 cm3 ; (17)Surface Tension: 55.2 dyne/cm ; (18)Enthalpy of Vaporization: 74.87 kJ/mol ; (19)Vapour Pressure: 1.66E-09 mmHg at 25°C ; (20)Rotatable Bond Count: 4 ; (21)Exact Mass: 292.121178 ; (22)MonoIsotopic Mass: 292.121178 ; (23)Topological Polar Surface Area: 70.5 ; (24)Heavy Atom Count: 22.

People can use the following data to convert to the molecule structure. SMILES: O(c1ccc(N)cc1)c3ccc(Oc2ccc(N)cc2)cc3; InChI: InChI=1/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2. The Benzenamine,4,4'-[1,4-phenylenebis(oxy)]bis- has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd.. The price of this product changes with the market.