Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Fluoro-2-nitrophenol |
EINECS | N/A |
CAS No. | 385-01-3 | Density | 1.511 g/cm3 |
PSA | 66.05000 | LogP | 1.96270 |
Solubility | N/A | Melting Point |
37-38 °C |
Formula | C6H4FNO3 | Boiling Point | 237.6 °C at 760 mmHg |
Molecular Weight | 157.101 | Flash Point | 97.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Nitro-3-fluorophenol;3-Fluoro-2-nitrophenol;AC1MD32D;MolPort-001-775-247;SBB063651;FT-0080424;CID2782777; |
Article Data | 10 |
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