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| CAS No.: | 102170-56-9 |
|---|---|
| Name: | 2-BROMO-6-METHYL-4-NITROANILINE |
| Molecular Structure: | |
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| Formula: | C7H7BrN2O2 |
| Molecular Weight: | 231.049 |
| Synonyms: | o-Toluidine, 6-bromo-4-nitro- (6CI);2-Bromo-6-methyl-4-nitroaniline;2-Methyl-4-nitro-6-bromoaniline;NSC 159373; |
| Density: | 1.698 g/cm3 |
| Melting Point: | 180-184 °C |
| Boiling Point: | 366 °C at 760 mmHg |
| Flash Point: | 175.2 °C |
| Appearance: | yellow needles |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37 |
| Safety: | 36/37 |
| PSA: | 71.84000 |
| LogP: | 3.35230 |
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Specification
The Benzenamine, 2-bromo-6-methyl-4-nitro-, with the CAS registry number 102170-56-9, is also known as 6-Bromo-2-methyl-4-nitrophenylamine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amines; C7; Nitrogen Compounds. This chemical's molecular formula is C7H7BrN2O2 and molecular weight is 231.04668. Its IUPAC name is called 2-bromo-6-methyl-4-nitroaniline. This chemical is yellow needles.
Physical properties of Benzenamine, 2-bromo-6-methyl-4-nitro-: (1)ACD/LogP: 2.91; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.648; (6)Molar Refractivity: 49.54 cm3; (7)Molar Volume: 136 cm3; (8)Surface Tension: 58.8 dyne/cm; (9)Density: 1.698 g/cm3; (10)Flash Point: 175.2 °C; (11)Enthalpy of Vaporization: 61.24 kJ/mol; (12)Boiling Point: 366 °C at 760 mmHg; (13)Vapour Pressure: 1.51E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-4-nitro-aniline. This reaction will need reagent glacial acetic acid and bromine.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes and respiratory system. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1N)Br)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H7BrN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3
(3)InChIKey: DCNWQCOXGLGSRC-UHFFFAOYSA-N