3,4-Difluoro-6-nitroanisole supplier

Name
3,4-Difluoro-6-Nitroanisole
EINECS
CAS No. 66684-64-8
Article Data3
CAS DataBase
Density 1.414 g/cm³
Solubility
Melting Point
Formula C₇H₅F₂NO₃
Boiling Point 264.7 °C at 760 mmHg
Molecular Weight 189.118
Flash Point 113.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Difluoro-4-methoxy-5-nitrobenzene;
PSA 55.05000
LogP 2.40480

3,4-Difluoro-6-nitroanisole Specification

The 3,4-Difluoro-6-nitroanisole, with the CAS registry number 66684-64-8, is also known as Benzene, 1,2-difluoro-4-methoxy-5-nitro-. This chemical's molecular formula is C₇H₅F₂NO₃ and molecular weight is 189.12. What's more, its IUPAC name is called 1,2-Difluoro-4-methoxy-5-nitrobenzene.

Physical properties about 3,4-Difluoro-6-nitroanisole are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.16; (6)ACD/BCF (pH 7.4): 9.16; (7)ACD/KOC (pH 5.5): 169.82; (8)ACD/KOC (pH 7.4): 169.82; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 39.46 cm³; (15)Molar Volume: 133.6 cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.414 g/cm³; (18)Flash Point: 113.9 °C; (19)Enthalpy of Vaporization: 48.24 kJ/mol; (20)Boiling Point: 264.7 °C at 760 mmHg; (21) Vapour Pressure: 0.0156 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(c(cc1[N+](=O)[O-])F)F
(2) InChI: InChI=1S/C7H5F2NO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
(3) InChIKey: JQFISHUXFQMRFG-UHFFFAOYSA-N

Product Name

3,4-Difluoro-6-Nitroanisole

3,4-Difluoro-6-nitroanisole Specification

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