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Name |
1,3-Propanediol,2-(2-fluoro-6-nitrophenyl)- |
EINECS | N/A |
CAS No. | 1131605-32-7 | Density | 1.429 g/cm3 |
PSA | 86.28000 | LogP | 1.32530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10FNO4 | Boiling Point | 407.4 °C at 760 mmHg |
Molecular Weight | 215.1784 | Flash Point | 200.189 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(2-Fluoro-6-nitro-phenyl)-propane-1,3-diol; |
The 1, 3-Propanediol, 2-(2-fluoro-6-nitrophenyl)-, with the CAS registry number of 1131605-32-7, is also known as 2-(2-Fluoro-6-nitrophenyl)propane-1, 3-diol. This chemical's molecular formula is C9H10FNO4 and molecular weight is 215.1784. What's more, its systematic name is 2-(2-Fluoro-6-nitro-phenyl)propane-1,3-diol.
Physical properties about 1, 3-Propanediol, 2-(2-fluoro-6-nitrophenyl)- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.453; (6)ACD/BCF (pH 7.4): 7.453; (7)ACD/KOC (pH 5.5): 146.573; (8)ACD/KOC (pH 7.4): 146.573; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 86.28 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 50.047 cm3; (15)Molar Volume: 150.569 cm3; (16)Surface Tension: 59.616 dyne/cm; (17)Density: 1.429 g/cm3; (18)Flash Point: 200.189 °C; (19)Enthalpy of Vaporization: 69.518 kJ/mol; (20)Boiling Point: 407.4 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(c(c1)F)C(CO)CO)[N+](=O)[O-]
(2) InChI: InChI=1/C9H10FNO4/c10-7-2-1-3-8(11(14)15)9(7)6(4-12)5-13/h1-3,6,12-13H,4-5H2
(3) InChIKey: CAMRYBIYYCRTJR-UHFFFAOYAJ