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| CAS No.: | 615-57-6 |
|---|---|
| Name: | 2,4-Dibromoaniline |
| Article Data: | 102 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H5Br2N |
| Molecular Weight: | 250.92 |
| Synonyms: | Aniline,2,4-dibromo- (6CI,7CI,8CI);2,4-Dibromoaniline;2,4-Dibromobenzenamine;NSC88324; |
| EINECS: | 210-434-4 |
| Density: | 2.022g/cm3 |
| Melting Point: | 78-82 °C |
| Boiling Point: | 264.8 °C at 760 mmHg |
| Flash Point: | 114 °C |
| Solubility: | Insoluble in water |
| Appearance: | White crystal or powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 36/37/38-33-20/21/22-51/53-25 |
| Safety: | 36/37/39-26-61-45 |
| PSA: | 26.02000 |
| LogP: | 3.37500 |
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Specification
The Benzenamine,2,4-dibromo-, with CAS registry number 615-57-6, belongs to the following product categories: (1)Anilines, Amides & Amines; (2)Bromine Compounds; (3)Amines; (4)C2 to C6; (5)Nitrogen Compounds. It has the systematic name of 2,4-dibromoaniline. This chemical is a kind of beige powder. What's more, its EINECS is 210-434-4.
Physical properties of Benzenamine,2,4-dibromo-: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 177.12; (6)ACD/BCF (pH 7.4): 177.15; (7)ACD/KOC (pH 5.5): 1415.42; (8)ACD/KOC (pH 7.4): 1415.72; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 45.86 cm3; (15)Molar Volume: 124 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 2.022 g/cm3; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 50.27 kJ/mol; (21)Boiling Point: 264.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0095 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-azido-2,4-dibromo-benzene. This reaction will need reagent decahydronaphthalene. The reaction time is 15 hour(s) with reaction temperature of 147 ℃. The yield is about 47%.
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Uses of Benzenamine,2,4-dibromo-: it can be used to produce 2,4-dibromo-6-nitro-aniline. This reaction will need reagent 2,3,5,6-tetrabromo-4-methyl-4-nitro-2,5-cyclohexadienone and solvent trifluoroacetic acid. The reaction time is 3 hour(s). The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
Firstly, the Benzenamine,2,4-dibromo- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. It is also toxic if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Secondly, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)c(N)cc1
(2)InChI: InChI=1/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
(3)InChIKey: DYSRXWYRUJCNFI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
(5)Std. InChIKey: DYSRXWYRUJCNFI-UHFFFAOYSA-N