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| CAS No.: | 22424-58-4 |
|---|---|
| Name: | 5-BENZYLOXY-2-NITROTOLUENE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C14H13NO3 |
| Molecular Weight: | 243.262 |
| Synonyms: | 4-(Benzyloxy)-2-methyl-1-nitrobenzene; |
| EINECS: | 244-988-3 |
| Density: | 1.202 g/cm3 |
| Melting Point: | 69-70 °C |
| Boiling Point: | 400.3 °C at 760 mmHg |
| Flash Point: | 176.8 °C |
| Safety: | 22-24/25 |
| PSA: | 55.05000 |
| LogP: | 4.00540 |
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- Total:20 Page 1 of 1 1
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Specification
The Benzene,2-methyl-1-nitro-4-(phenylmethoxy)-, with the CAS registry number of 22424-58-4, is also known as 4-(Benzyloxy)-2-methyl-1-nitrobenzene. Its EINECS registry number is 244-988-3. This chemical's molecular formula is C14H13NO3 and molecular weight is 243.26. What's more, its IUPAC name is 2-Methyl-1-nitro-4-phenylmethoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Benzene,2-methyl-1-nitro-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 68.78 cm3; (9)Molar Volume: 202.2 cm3; (10)Surface Tension: 46.8 dyne/cm; (11)Density: 1.202 g/cm3; (12)Flash Point: 175.7 °C; (13)Enthalpy of Vaporization: 62.38 kJ/mol; (14)Boiling Point: 398.5 °C at 760 mmHg; (15)Vapour Pressure: 3.37E-06 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Chloromethyl-benzene with 3-Methyl-4-nitro-phenol. The reaction needs reagent K2CO3 and solvent Dimethylformamide. The reaction time is 2 h with reaction temperature of 120 °C. The yield is about 93 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 1-[2-(5-Benzyloxy-2-nitro-phenyl)-vinyl]-pyrrolidine. The reaction time is 14 h with reaction temperature of 110 °C. The yield is about 91 %.
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When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2c(cc(OCc1ccccc1)cc2)C
(2) InChI: InChI=1/C14H13NO3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
(3) InChIKey: PBAXHOUGHZKSRP-UHFFFAOYAD