4-Fluoro-2-nitrobenzoic acid
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4-Fluoro-2-nitrobenzoic acid
structure -
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CAS No:
394-01-4
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Formula:
C7H4FNO4
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Chemical Name:
4-Fluoro-2-nitrobenzoic acid
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Synonyms:
Benzoic acid,4-fluoro-2-nitro-;4-Fluoro-2-nitrobenzoic acid;2-Nitro-4-fluorobenzoic acid
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CAS No:
Characteristics
83.1
1.6
white to light yellow crystal powder
1.6±0.1 g/cm3
130 °C
343.8°C at 760 mmHg
161.7±23.7 °C
1.588
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
4-Fluoro-2-nitrobenzoic acid Use and Manufacturing
Reference Example 2-31 A. A mixture of 4-fluoro-2-nitro-benzonitrile (12.2 g, 73.7 mmol) suspended in HBr (48percent, 74.5 mL, 664 mmol) was heated at 130 °C for 6.5 h. After cooling to rt water (1 L) was added and the resulting precipitate was washed with water and hexane to afford the title compound (11.0 g, 81percent) as a light brown solid. MS: M/E = 183.9 (M-H).
Computed Properties
Molecular Weight:185.11
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:185.01243577
Monoisotopic Mass:185.01243577
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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