1,3-Propanediol,2-(2-fluoro-6-nitrophenyl)- supplier

Name
1,3-Propanediol, 2-(2-fluoro-6-nitrophenyl)-
EINECS
CAS No. 1131605-32-7
Density 1.429 g/cm³
Solubility
Melting Point
Formula C₉H₁₀FNO₄
Boiling Point 407.4 °C at 760 mmHg
Molecular Weight 215.1784
Flash Point 200.189 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-Fluoro-6-nitro-phenyl)-propane-1,3-diol;
PSA 86.28000
LogP 1.32530

1,3-Propanediol,2-(2-fluoro-6-nitrophenyl)- Specification

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

Product Name

1,3-Propanediol, 2-(2-fluoro-6-nitrophenyl)-

1,3-Propanediol,2-(2-fluoro-6-nitrophenyl)- Specification

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