2-Bromo-5-fluorobenzonitrile
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2-Bromo-5-fluorobenzonitrile
structure -
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CAS No:
57381-39-2
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Formula:
C7H3BrFN
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Chemical Name:
2-Bromo-5-fluorobenzonitrile
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Synonyms:
Benzonitrile,2-bromo-5-fluoro-;2-Bromo-5-fluorobenzonitrile;1-Bromo-2-cyano-4-fluorobenzene
- Categories:
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CAS No:
2-Bromo-5-fluorobenzonitrile Basic Attributes
200.01
200.01
8678330
260-711-9
DTXSID20205974
29269090
Characteristics
23.8
2.4
1.7±0.1 g/cm3
92-95 °C(lit.)
251.2°C at 760 mmHg
105.7±23.2 °C
1.578
soluble in methanol.
Safety Information
III
6.1
3439
3
20/21/22
26-36
Xn,T,Xi
Toxic
P280
H302-H312-H332
|Warning|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-5-fluorobenzonitrile Use and Manufacturing
2-Bromo-5-fluorobenzonitrile is used in the synthesis of pyrimidine functional compounds acting as GABAAα2/α3 binding site agonists used in the treatment of anxiety disorders.
Computed Properties
Molecular Weight:200.01
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Exact Mass:198.94329
Monoisotopic Mass:198.94329
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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