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| Name |
Benzaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro- |
EINECS | N/A | ||||
| CAS No. | 175278-47-4 | Density | 1.196 g/cm3 | ||||
| PSA | 72.12000 | LogP | 5.02030 | ||||
| Solubility | N/A | Melting Point |
134-136 °C |
||||
| Formula | C17H17NO4 | Boiling Point | 395.8 °C at 760 mmHg | ||||
| Molecular Weight | 299.326 | Flash Point | 150.4 °C | ||||
| Transport Information | N/A | Appearance | N/A | ||||
| Safety |
|
Risk Codes |
 Xn:Harmful; |
||||
| Molecular Structure |
|
Hazard Symbols | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; | ||||
| Synonyms |
2-(4-tert-Butylphenoxy)-5-nitrobenzaldehyde; |
Benzaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro- Specification
The Benzaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro-, with the CAS registry number 175278-47-4, is also known as 2-[4-(tert-butyl)phenoxy]-5-nitrobenzaldehyde. This chemical's molecular formula is C17H17NO4 and molecular weight is 299.32.What's more, its systematic name is 2-(4-tert-butylphenoxy)-5-nitrobenzaldehyde.
Physical properties about Benzaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro- are: (1)ACD/LogP: 5.23; (2)H bond acceptors: 5; (3)Freely Rotating Bonds: 5; (4)Polar Surface Area: 72.12 Å2; (5)Index of Refraction: 1.589; (6)Molar Refractivity: 84.38 cm3; (7)Molar Volume: 250.2 cm3; (8)Polarizability: 33.45×10-24 cm3; (9)Surface Tension: 44.6 dyne/cm; (10)Density: 1.196 g/cm3; (11)Flash Point: 150.4 °C; (12)Enthalpy of Vaporization: 64.6 kJ/mol; (13)Boiling Point: 395.8 °C at 760 mmHg; (14)Vapour Pressure: 1.79×10-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c2ccc(Oc1ccc(cc1)C(C)(C)C)c(c2)C=OCopyCopied;
(2)InChI:InChI=1/C17H17NO4/c1-17(2,3)13-4-7-15(8-5-13)22-16-9-6-14(18(20)21)10-12(16)11-19/h4-11H,1-3H3 CopyCopied;
(3)InChIKey:YOWJMFSAQPDRJB-UHFFFAOYAS.
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