2-Fluoro-5-nitrobenzoicacid
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2-Fluoro-5-nitrobenzoicacid
structure -
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CAS No:
7304-32-7
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Formula:
C7H4FNO4
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Chemical Name:
2-Fluoro-5-nitrobenzoicacid
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Synonyms:
2-Fluoro-5-nitrobenzoic acid;2-Fluoro-5-nitrobenzoicacid;2-fluoro-5-nitro-benzoic acid;Benzoic acid, 2-fluoro-5-nitro-;2-Fluoro-5-nitrobenzoic acid, 98%;MFCD00134238;2-Fluoro-5-nitro-benzoicacid;NSC133450;PubChem1307;ACMC-209op6
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CAS No:
2-Fluoro-5-nitrobenzoicacid Basic Attributes
185.11
185.012436
1912835
-0
133450
DTXSID90299880
2916399090
Characteristics
83.1
1.5
White to pale yellow Crystalline Powder
1.6±0.1 g/cm3
142-144 °C(lit.)
337.7ºC at 760 mmHg
158.0±23.7 °C
1.588
soluble in chloroform, ethanol.
Refrigerator
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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-Fluoro-5-nitrobenzoicacid Use and Manufacturing
A35-a intermediate 36: 2-Fluoro- -nitrobenzoic acidNitric acid (60percent solution, 5.0 mL) was carefully added to a cooled solution of concentrate sulfuric acid (5.0 mL) so that the temperature did not exceed 10 °C. 2-f uorobenzoic acid (2.1 g, 15.0 mmol) was added by small portions while maintaining temperature between 15 and 25 °C. The mixture was stirred for 2 h at room temperature. Ice was added and the precipitate was filtered. After drying at room temperature, intermediate 36 was obtained as a white powder. Yield: 93percent; mp 135-137 °C; 1H NMR (300 MHz, OMSO-d
Intermediate for medicine, pesticide, liquid crystal material.
Computed Properties
Molecular Weight:185.11
XLogP3:1.5
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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