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Cas Database |
| Name |
Benzenamine,3-(4-nitrophenoxy)- |
EINECS | N/A |
| CAS No. | 22528-34-3 | Density | 1.322 g/cm3 |
| PSA | 81.07000 | LogP | 4.07370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H10N2O3 | Boiling Point | 383 °C at 760 mmHg |
| Molecular Weight | 230.223 | Flash Point | 185.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-(4-Nitrophenoxy)-benzenamin; |
Article Data | 5 |
Benzenamine,3-(4-nitrophenoxy)- Specification
The Benzenamine,3-(4-nitrophenoxy)-, with the CAS registry number of 22528-34-3, is also known as 3-(4-Nitrophenoxy)-benzenamin. This chemical's molecular formula is C12H10N2O3 and molecular weight is 230.22. What's more, its IUPAC name is 3-(4-Nitrophenoxy)aniline.
Physical properties about the Benzenamine,3-(4-nitrophenoxy)- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 58.29 Å2; (7)Index of Refraction: 1.649; (8)Molar Refractivity: 63.47 cm3; (9)Molar Volume: 174.1 cm3; (10)Surface Tension: 57.5 dyne/cm; (11)Density: 1.322 g/cm3; (12)Flash Point: 185.4 °C; (13)Enthalpy of Vaporization: 63.15 kJ/mol; (14)Boiling Point: 383 °C at 760 mmHg; (15)Vapour Pressure: 4.54E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(Oc1cccc(c1)N)cc2
(2) InChI: InChI=1/C12H10N2O3/c13-9-2-1-3-12(8-9)17-11-6-4-10(5-7-11)14(15)16/h1-8H,13H2
(3) InChIKey: XTMXKDRGJKFRQL-UHFFFAOYAY
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 3400mg/kg (3400mg/kg) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 10, 1990. |
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