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| CAS No.: | 697-86-9 |
|---|---|
| Name: | 2-BROMO-4,6-DICHLOROANILINE |
| Molecular Structure: | |
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| Formula: | C6H4BrCl2N |
| Molecular Weight: | 240.914 |
| Synonyms: | Aniline,2-bromo-4,6-dichloro- (8CI);2,4-Dichloro-6-bromoaniline;2-Bromo-4,6-dichloroaniline;6-Bromo-2,4-dichloroaniline; |
| Density: | 1.827 g/cm3 |
| Melting Point: | 81-83 °C(lit.) |
| Boiling Point: | 273 °C at 760 mmHg |
| Flash Point: | 121.8 °C |
| Appearance: | pinkish to light brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.02000 |
| LogP: | 3.91930 |
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Specification
The Benzenamine,2-bromo-4,6-dichloro-, with CAS registry number 697-86-9, belongs to the following product categories: (1)Anilines, Amides & Amines; (2)Bromine Compounds; (3)Chlorine Compounds. It has the systematic name of Benzenamine, 2-bromo-4,6-dichloro-. This chemical is a kind of pinkish to light brown crystalline powder.
Physical properties of Benzenamine,2-bromo-4,6-dichloro-: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 26.02 Å2; (9)Index of Refraction: 1.648; (10)Molar Refractivity: 47.96 cm3; (11)Molar Volume: 131.7 cm3; (12)Polarizability: 19.01×10-24cm3; (13)Surface Tension: 52.8 dyne/cm; (14)Density: 1.827 g/cm3; (15)Flash Point: 121.8 °C; (16)Enthalpy of Vaporization: 51.13 kJ/mol; (17)Boiling Point: 273 °C at 760 mmHg; (18)Vapour Pressure: 0.00588 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4-dichloro-aniline. This reaction will need reagents Br2, glac. AcOH. The yield is about 82%.
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Uses of Benzenamine,2-bromo-4,6-dichloro-: it can be used to produce 2-Bromo-4,6-dichlorobenzenediazonium tetrafluoroborate. This reaction will need reagents BF3.Et2O, butyl nitrite and solvent CH2Cl2. The yield is about 64%.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-bromo-4,6-dichloro- irritates to eyes, respiratory system and skin. 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.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)cc(Br)c1N
(2)InChI: InChI=1/C6H4BrCl2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
(3)InChIKey: DTPADCOGQUOGHT-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H4BrCl2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
(5)Std. InChIKey: DTPADCOGQUOGHT-UHFFFAOYSA-N