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| CAS No.: | 51652-35-8 |
|---|---|
| Name: | 5-METHOXY-2,4-DINITROPHENOL |
| Molecular Structure: | |
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| Formula: | C7H6N2O6 |
| Molecular Weight: | 214.134 |
| Synonyms: | 3-Methoxy-4,6-dinitrophenol;5-Methoxy-2,4-dinitrophenol;NSC 105592;O-Methyl-4,6-dinitroresorcinol; |
| Density: | 1.579 g/cm3 |
| Melting Point: | 107-109 °C |
| Boiling Point: | 397.5 °C at 760 mmHg |
| Flash Point: | 194.2 °C |
| Risk Codes: | 20/21/22 |
| Safety: | 26-36/37/39 |
| PSA: | 121.10000 |
| LogP: | 2.26360 |
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- Total:14 Page 1 of 1 1
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Specification
The CAS register number of Phenol,5-methoxy-2,4-dinitro- is 51652-35-8. It also can be called as 3-Methoxy-4,6-dinitrophenol and the systematic name about this chemical is 5-methoxy-2,4-dinitrophenol. The molecular formula about this chemical is C7H6N2O6 and the molecular weight is 214.13.
Physical properties about Phenol,5-methoxy-2,4-dinitro- are: (1)ACD/LogP: 1.80; (2)#H bond acceptors: 8; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 110.1 Å2; (6)Index of Refraction: 1.624; (7)Molar Refractivity: 47.9 cm3; (8)Molar Volume: 135.5 cm3; (9)Polarizability: 18.99x10-24cm3; (10)Surface Tension: 68.4 dyne/cm; (11)Density: 1.579 g/cm3; (12)Flash Point: 194.2 °C; (13)Enthalpy of Vaporization: 67.32 kJ/mol; (14)Boiling Point: 397.5 °C at 760 mmHg; (15)Vapour Pressure: 6.91E-07 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of 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)c1c(O)cc(OC)c([N+]([O-])=O)c1
(2)InChI: InChI=1/C7H6N2O6/c1-15-7-3-6(10)4(8(11)12)2-5(7)9(13)14/h2-3,10H,1H3
(3)InChIKey: IASWEPJOUWXONE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H6N2O6/c1-15-7-3-6(10)4(8(11)12)2-5(7)9(13)14/h2-3,10H,1H3
(5)Std. InChIKey: IASWEPJOUWXONE-UHFFFAOYSA-N