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Name |
2-Bromo-4,6-dichloroaniline |
EINECS | N/A |
CAS No. | 697-86-9 | Density | 1.827 g/cm3 |
PSA | 26.02000 | LogP | 3.91930 |
Solubility | N/A | Melting Point |
81-83 °C(lit.) |
Formula | C6H4BrCl2N | Boiling Point | 273 °C at 760 mmHg |
Molecular Weight | 240.914 | Flash Point | 121.8 °C |
Transport Information | N/A | Appearance | pinkish to light brown crystalline powder |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Aniline,2-bromo-4,6-dichloro- (8CI);2,4-Dichloro-6-bromoaniline;2-Bromo-4,6-dichloroaniline;6-Bromo-2,4-dichloroaniline; |
Article Data | 12 |
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%.
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%.
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