4-Bromo-2,6-difluorobenzonitrile
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4-Bromo-2,6-difluorobenzonitrile
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CAS No:
123843-67-4
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Formula:
C7H2BrF2N
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Chemical Name:
4-Bromo-2,6-difluorobenzonitrile
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Synonyms:
Benzonitrile,4-bromo-2,6-difluoro-;4-Bromo-2,6-difluorobenzonitrile;2,6-Difluoro-4-bromobenzonitrile;1034193-80-0
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CAS No:
Characteristics
23.8
2.5
White Crystalline Powder
1.77±0.1 g/cm3(Predicted)
78 °C
219.7±35.0 °C(Predicted)
86.7±25.9 °C
1.552
0.117mmHg at 25°C
Safety Information
Ⅲ
6.1
3439
20/21/22-36/37/38-36/38
26-36/37/39-36/37
Harmful
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (75.86%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 29 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2,6-difluorobenzonitrile Use and Manufacturing
To a stirred solution of the above benzamide intermediate (9.4 g, 40 mmol) in DMF (15 mL) was added cyanuric chloride (7. 24 g, 40 mL) at 0 °C. The reaction was stirred at 0 °C for 3 h. Water was added slowly to the reaction and it was extracted with CH2C12 (3 x 100 ML). The solvent was washed with brine and dried over NA2S04. The solvent was removed to give 4-bromo-2, 6-DIFLUOROBENZONITRILE (7.57 g, 86.9percent).
Computed Properties
Molecular Weight:218.00
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:216.93387
Monoisotopic Mass:216.93387
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Bromo-2,6-difluorobenzonitrile
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