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CAS No.: | 1644-82-2 |
---|---|
Name: | 2-Fluoro-6-nitrobenzaldehyde |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H4FNO3 |
Molecular Weight: | 169.112 |
Synonyms: | 2-Fluoro-6-nitrobenzaldehyde; |
Density: | 1.443 g/cm3 |
Melting Point: | 62-63℃ |
Boiling Point: | 286.9 °C at 760 mmHg |
Flash Point: | 127.3 °C |
PSA: | 62.89000 |
LogP: | 2.06960 |
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This chemical is called 2-Fluoro-6-nitrobenzaldehyde, and its systematic name is 2-fluoro-6-nitrobenzaldehyde. With the molecular formula of C7H4FNO3, its molecular weight is 169.11. The CAS registry number of this chemical is 1644-82-2. Additionally, its product categories are Aromatic Aldehydes & Derivatives (substituted); Benzene Series.
Other characteristics of the 2-Fluoro-6-nitrobenzaldehyde can be summarised as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.42; (6)ACD/BCF (pH 7.4): 13.42; (7)ACD/KOC (pH 5.5): 223.33; (8)ACD/KOC (pH 7.4): 223.33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 39.54 cm3; (15)Molar Volume: 117.1 cm3; (16)Polarizability: 15.67×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 127.3 °C; (20)Enthalpy of Vaporization: 52.6 kJ/mol; (21)Boiling Point: 286.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00257 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c(cccc1F)N(=O)=O
2.InChI: InChI=1/C7H4FNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H
3.InChIKey: LMTKLMMRJDNPFT-UHFFFAOYAZ