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| CAS No.: | 827-23-6 |
|---|---|
| Name: | 2,4-Dibromo-6-nitroaniline |
| Molecular Structure: | |
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| Formula: | C6H4Br2N2O2 |
| Molecular Weight: | 295.918 |
| Synonyms: | Aniline,2,4-dibromo-6-nitro- (7CI,8CI);2,4-Dibromo-6-nitroaniline;2,4-Dibromo-6-nitrobenzenamine;2-Nitro-4,6-dibromoaniline;4,6-Dibromo-2-nitroaniline;NSC 87163; |
| EINECS: | -0 |
| Density: | 2.177 g/cm3 |
| Melting Point: | 129-133°C |
| Boiling Point: | 328.6 °C at 760 mmHg |
| Flash Point: | 152.5 °C |
| Appearance: | orange-yellow powder |
| Hazard Symbols: |
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| Risk Codes: | R20/21/22;R36/37/38 |
| Safety: | S26;S36/37/39 |
| PSA: | 71.84000 |
| LogP: | 3.80640 |
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Specification
The 2,4-Dibromo-6-nitroaniline with the cas number 827-23-6, is also called Benzenamine, 2,4-dibromo-6-nitro-. This chemical belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Amines; (3)C2 to C6; (4)Nitrogen Compounds.This chemical can be obtained by brominating 2-nitro-aniline.
The properties of the chemical are: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.76; (4)ACD/LogD (pH 7.4): 3.76; (5)ACD/BCF (pH 5.5): 425.96; (6)ACD/BCF (pH 7.4): 425.96; (7)ACD/KOC (pH 5.5): 2652.81; (8)ACD/KOC (pH 7.4): 2652.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 52.41 cm3; (15)Molar Volume: 135.9 cm3; (16)Polarizability: 20.77×10-24cm3; (17)Surface Tension: 67.4 dyne/cm; (18)Enthalpy of Vaporization: 57.1 kJ/mol; (19)Vapour Pressure: 0.000188 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: (1)Harmful by inhalation, in contact with skin and if swallowed; (2)Irritating to eyes, respiratory system and skin; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc([N+]([O-])=O)c1N
(2)InChI: InChI=1/C6H4Br2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2