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CAS No.: | 5344-78-5 |
---|---|
Name: | 4-Bromo-3-nitroanisole |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C7H6BrNO3 |
Molecular Weight: | 232.034 |
Synonyms: | Anisole,4-bromo-3-nitro- (7CI);1-Bromo-2-nitro-4-methoxybenzene;1-Bromo-4-methoxy-2-nitrobenzene;2-Bromo-5-methoxy-1-nitrobenzene;2-Bromo-5-methoxynitrobenzene;4-Methoxy-2-nitrobromobenzene;NSC 1161;1-Bromo-4-methoxy-2-nitro-benzene; |
EINECS: | 226-290-0 |
Density: | 1.64 g/cm3 |
Melting Point: | 32-34 °C(lit.) |
Boiling Point: | 291 °C at 760 mmHg |
Flash Point: | 123 °C |
Appearance: | Light Yellow Powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 55.05000 |
LogP: | 2.88910 |
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The Benzene,1-bromo-4-methoxy-2-nitro-, with CAS registry number 5344-78-5, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)NitroCompounds; (4)Halides; (5)Phenyls & Phenyl-Het; (6)Anisole; (7)Anisoles, Alkyloxy Compounds & Phenylacetates; (8)Bromine Compounds; (9)Nitro Compounds; (10)Phenyls & Phenyl-Het; (11)Nitro Compounds; (12)Nitrogen Compounds; (13)Organic Building Blocks. It has the systematic name of 1-bromo-4-methoxy-2-nitrobenzene. What's more, its EINECS is 226-290-0.
Physical properties of Benzene,1-bromo-4-methoxy-2-nitro-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.09; (6)ACD/BCF (pH 7.4): 112.09; (7)ACD/KOC (pH 5.5): 1020.19; (8)ACD/KOC (pH 7.4): 1020.19; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 47.16 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 18.69×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Enthalpy of Vaporization: 50.91 kJ/mol; (19)Vapour Pressure: 0.00349 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methoxy-2-nitro-aniline. This reaction will need reagent aqueous H2SO4.
Uses of Benzene,1-bromo-4-methoxy-2-nitro-: it can be used to produce 2-bromo-5-methoxy-aniline. This reaction will need reagents aqueous ethanol, iron, aqueous hydrochloric acid.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-methoxy-2-nitro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection and avoid contact with skin and eyes. If 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-])c1cc(OC)ccc1Br
(2)InChI: InChI=1/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
(3)InChIKey: KCOBIBRGPCFIGF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
(5)Std. InChIKey: KCOBIBRGPCFIGF-UHFFFAOYSA-N