4-Bromo-3-fluorobenzonitrile
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4-Bromo-3-fluorobenzonitrile
structure -
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CAS No:
133059-44-6
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Formula:
C7H3BrFN
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Chemical Name:
4-Bromo-3-fluorobenzonitrile
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Synonyms:
Benzonitrile,4-bromo-3-fluoro-;4-Bromo-3-fluorobenzonitrile;3-Fluoro-4-bromobenzonitrile
- Categories:
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CAS No:
Characteristics
23.8
2.4
1.69±0.1 g/cm3(Predicted)
54-58 C
230.1±20.0 °C(Predicted)
93.0±21.8 °C
1.578
0.067mmHg at 25°C
Safety Information
IRRITANT
20/21/22-36/37/38-36-22
26-36
T,Xi,Xn
Toxic
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+H311+H331
|Danger|H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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