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| CAS No.: | 17484-36-5 |
|---|---|
| Name: | 4-Methyl-3-nitroanisole |
| Article Data: | 23 |
| Molecular Structure: | |
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|
|
| Formula: | C8H9NO3 |
| Molecular Weight: | 167.164 |
| Synonyms: | 4-Methoxy-2-nitrotoluene;Anisole,4-methyl-3-nitro- (6CI,7CI,8CI);2-Nitro-4-methoxytoluene;3-Nitro-4-methylanisole;4-Methoxy-1-methyl-2-nitrobenzene; |
| EINECS: | 241-500-0 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 17 °C(lit.) |
| Boiling Point: | 269.4 °C at 760 mmHg |
| Flash Point: | 127.2 °C |
| Solubility: | insoluble in water |
| Appearance: | light yellow liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 55.05000 |
| LogP: | 2.43500 |
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Specification
The Benzene,4-methoxy-1-methyl-2-nitro-, with the CAS registry number 17484-36-5, is also known as 2-Nitro-4-methoxytoluene. It belongs to the product categories of Aromatic Ethers; Phenyls & Phenyl-Het; Anisole; Aromatics Compounds. Its EINECS number is 241-500-0. This chemical's molecular formula is C8H9NO3 and formula weight is 167.16. What's more, its IUPAC name is 4-methoxy-1-methyl-2-nitrobenzene.
Physical properties of Benzene,4-methoxy-1-methyl-2-nitro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)#H bond acceptors: 4 ; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.05 Å2; (9)Index of Refraction: 1.538; (10)Molar Refractivity: 44.3 cm3; (11)Molar Volume: 141.5 cm3; (12)Surface Tension: 40.4 dyne/cm; (13)Density: 1.18 g/cm3; (14)Flash Point: 127.2 °C; (15)Enthalpy of Vaporization: 48.71 kJ/mol; (16)Boiling Point: 269.4 °C at 760 mmHg; (17)Vapour Pressure: 0.012 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-Methyl-3-nitro-phenol at the ambient temperature. This reaction will need reagent K2CO3 and solvent acetonitrile with the reaction time of 2 hours. The yield is about 89%.
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Uses of Benzene,4-methoxy-1-methyl-2-nitro-: it can be used to produce 4-bromomethyl-3-nitro-anisole by heating. It will need reagent N-bromosuccinimide, benzoyl peroxide and solvent CCl4 with the reaction time of 6 hours. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)OC)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3
(3)InChIKey: JBORNNNGTJSTLC-UHFFFAOYSA-N