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| CAS No.: | 385-01-3 |
|---|---|
| Name: | Phenol,3-fluoro-2-nitro- |
| Article Data: | 10 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H4FNO3 |
| Molecular Weight: | 157.101 |
| Synonyms: | 2-Nitro-3-fluorophenol;3-Fluoro-2-nitrophenol;AC1MD32D;MolPort-001-775-247;SBB063651;FT-0080424;CID2782777; |
| EINECS: | N/A |
| Density: | 1.511 g/cm3 |
| Melting Point: | 37-38 °C |
| Boiling Point: | 237.6 °C at 760 mmHg |
| Flash Point: | 97.5 °C |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 34 |
| Safety: | 36/37/39-45 |
| Transport Information: | N/A |
| PSA: | 66.05000 |
| LogP: | 1.96270 |
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The 3-Fluoro-2-nitrophenol with CAS registry number of 385-01-3 is also known as 2-Nitro-3-fluorophenol. The IUPAC name and product name are the same. It belongs to product categories of Phenol&Thiophenol&Mercaptan. In addition, the formula is C6H4FNO3 and the molecular weight is 157.10.
Physical properties about 3-Fluoro-2-nitrophenol are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -1.22; (5)ACD/BCF (pH 5.5): 1 ACD; (6)/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.87; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 34.67 cm3; (14)Molar Volume: 103.9 cm3; (15)Surface Tension: 56.4 dyne/cm; (16)Density: 1.511 g/cm3; (17)Flash Point: 97.5 °C; (18)Enthalpy of Vaporization: 49.37 kJ/mol; (19)Boiling Point: 237.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0289 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])O
2. InChI: InChI=1S/C6H4FNO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H
3. InChIKey: GAWNBKUTBVLIPL-UHFFFAOYSA-N
