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Name |
4-(4-Nitrophenoxy)aniline |
EINECS | 228-159-3 |
CAS No. | 6149-33-3 | Density | 1.322 g/cm3 |
PSA | 81.07000 | LogP | 4.07370 |
Solubility | N/A | Melting Point |
132 °C |
Formula | C12H10N2O3 | Boiling Point | 387.4 °C at 760 mmHg |
Molecular Weight | 230.223 | Flash Point | 188.1 °C |
Transport Information | N/A | Appearance | olid |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Aniline,p-(p-nitrophenoxy)- (6CI,7CI,8CI);4-(4-Nitrophenoxy)benzenamine;4-Amino-4'-nitrodiphenyl ether;4-Amino-4'-nitrophenyl ether;4-Aminophenyl 4-nitrophenyl ether;4-Nitro-4'-aminodiphenyl ether;NSC 74273;[4-(4-Nitrophenoxy)phenyl]amine;p-(p-Nitrophenoxy)aniline;p-Aminophenyl p-nitrophenyl ether;p-Nitrophenylp-aminophenyl ether; |
Article Data | 27 |
The Benzenamine,4-(4-nitrophenoxy)-, with CAS registry number 6149-33-3, belongs to the following product category: Biphenyl & Diphenyl ether. It has the systematic name of 4-(4-nitrophenoxy)aniline. And the chemical formula of this chemical is C12H10N2O3. What's more, its EINECS is 228-159-3.
Physical properties of Benzenamine,4-(4-nitrophenoxy)-: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 21.28; (6)ACD/BCF (pH 7.4): 22.41; (7)ACD/KOC (pH 5.5): 305.91; (8)ACD/KOC (pH 7.4): 322.29; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.29 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 63.47 cm3; (15)Molar Volume: 174.1 cm3; (16)Polarizability: 25.16×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 63.64 kJ/mol; (21)Boiling Point: 387.4 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by bis-(4-nitro-phenyl) ether. This reaction will need reagent aq.-ethanolic Na2S.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-(4-nitrophenoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(Oc1ccc(cc1)N)cc2
(2)InChI: InChI=1/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
(3)InChIKey: ASAOLTVUTGZJST-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
(5)Std. InChIKey: ASAOLTVUTGZJST-UHFFFAOYSA-N