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| CAS No.: | 154607-01-9 |
|---|---|
| Name: | 4-BROMO-2-CHLOROBENZONITRILE |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C7H3BrClN |
| Molecular Weight: | 216.465 |
| Synonyms: | 2-Chloro-4-bromobenzonitrile; |
| EINECS: | -0 |
| Density: | 1.74 g/cm3 |
| Melting Point: | 67-68 °C |
| Boiling Point: | 279.8 °C at 760 mmHg |
| Flash Point: | 123 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3439 |
| PSA: | 23.79000 |
| LogP: | 2.97418 |
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Specification
The Benzonitrile,4-bromo-2-chloro- is an organic compound with the formula C7H3BrClN. The systematic name of this chemical is 4-Bromo-2-chlorobenzonitrile. With the CAS registry number 154607-01-9, it is also named as 2-Chloro-4-bromobenzonitrile. The product's category is Aromatic Nitriles. Besides, it should be stored in a cool, sealed, dry, well-ventilated place.
Physical properties about Benzonitrile,4-bromo-2-chloro- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 98.87; (5)ACD/BCF (pH 7.4): 98.87; (6)ACD/KOC (pH 5.5): 932.58; (7)ACD/KOC (pH 7.4): 932.58; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79 Å2; (10)Index of Refraction: 1.623; (11)Molar Refractivity: 43.86 cm3; (12)Molar Volume: 124.3 cm3; (13)Polarizability: 17.39×10-24 cm3; (14)Surface Tension: 56.6 dyne/cm; (15)Density: 1.74 g/cm3; (16)Flash Point: 123 °C; (17)Enthalpy of Vaporization: 51.85 kJ/mol; (18)Boiling Point: 279.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00393 mmHg at 25 °C.
Uses of Benzonitrile,4-bromo-2-chloro-: it can be used to produce 4-Benzylamino-2-chloro-benzonitrile at temperature of 100 °C. It will need reagents Cs2CO3; Pd2(dba)3; BINAP and solvent toluene with reaction time of 20 hours. The yield is about 84%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
(2)InChIKey: AYQBMZNSJPVADT-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
(4)Std. InChIKey: AYQBMZNSJPVADT-UHFFFAOYSA-N