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| CAS No.: | 3799-24-4 |
|---|---|
| Name: | 3-AMINO-4-FLUOROBENZOIC ACID HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H5FNO2 |
| Molecular Weight: | 191.589 |
| Synonyms: | 3-AMINO-4-FLUOROBENZOIC ACID, HCL;3-AMINO-4-FLUOROBENZOIC ACID HYDROCHLORIDE;3-Amino-4-fluorobenzoic acid hydrochloride 97%;3-Amino-4-fluorobenzoicacidhydrochloride97% |
| Melting Point: | 240-242 |
| Boiling Point: | 335.5 °C at 760 mmHg |
| Flash Point: | 156.7 °C |
| Hazard Symbols: | Xi |
| PSA: | 63.32000 |
| LogP: | 2.48930 |
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- Total:19 Page 1 of 1 1
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Specification
The 3-Amino-4-fluoro-benzoate is an organic compound with the formula C7H5FNO2. With the CAS registry number 3799-24-4, The IUPAC name of this chemical is 3-amino-4-fluorobenzoate.
Physical properties about 3-Amino-4-fluoro-benzoate are: (1)ACD/LogP: 1.24; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 40.54 Å2; (6)Flash Point: 156.7 °C; (7)Enthalpy of Vaporization: 61.07 kJ/mol; (8)Boiling Point: 335.5 °C at 760 mmHg; (9)Vapour Pressure: 4.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C([O-])=O)cc1N
(2)InChI: InChI=1/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)/p-1
(3)InChIKey: WFSPEVFSRUTRCN-REWHXWOFAN
(4)Std. InChI: InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)/p-1
(5)Std. InChIKey: WFSPEVFSRUTRCN-UHFFFAOYSA-M