4-Bromo-2-fluorobenzoic acid
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4-Bromo-2-fluorobenzoic acid
structure -
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CAS No:
112704-79-7
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Formula:
C7H4BrFO2
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Chemical Name:
4-Bromo-2-fluorobenzoic acid
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Synonyms:
Benzoic acid,4-bromo-2-fluoro-;4-Bromo-2-fluorobenzoic acid;2-Fluoro-4-bromobenzoic acid;NSC 190364
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CAS No:
4-Bromo-2-fluorobenzoic acid Basic Attributes
219.01
219.01
6323931
-0
190364
DTXSID60307209
29163990
Characteristics
37.3
3.1
white to light yellow crystal powder
1.7218 (rough estimate)
204-208 °C (polymorph) @ Solvent: Acetone, Hexane
289.4±25.0 °C(Predicted)
128.8±23.2 °C
1.4240 (estimate)
Solubility in methanol, very faint turbidity.
0.0302mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 10 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-fluorobenzoic acid Use and Manufacturing
4-Bromo-2-fluorobenzoic Acid is a halogenated derivative of benzoic acid. 4-Bromo-2-fluorobenzoic Acid is used in the synthesis of pharmaceutically significant products such as d-Amino acid oxidase inhibitors.
Benzoic acid, 4-bromo-2-fluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:219.01
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:217.93787
Monoisotopic Mass:217.93787
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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