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CAS No.: | 385-02-4 |
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Name: | 2-Fluoro-6-nitrobenzoic acid |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H4FNO4 |
Molecular Weight: | 185.111 |
Synonyms: | 2-Fluoro-6-nitrobenzoicacid;6-Fluoro-2-nitrobenzoic acid; |
EINECS: | 253-994-5 |
Density: | 1.568 g/cm3 |
Melting Point: | 150 °C |
Boiling Point: | 344.2 °C at 760 mmHg |
Flash Point: | 162 °C |
Hazard Symbols: | Xi |
PSA: | 83.12000 |
LogP: | 1.95530 |
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The Benzoicacid, 2-fluoro-6-nitro-, with the CAS registry number 385-02-4, is also known as 6-Fluoro-2-nitrobenzoic acid. It belongs to the product categories of Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Benzoic acid series. This chemical's molecular formula is C7H4FNO4 and molecular weight is 185.11. What's more, its systematic name is 2-fluoro-6-nitrobenzoic acid. It is incompatible with strong bases, strong oxidizing agents.
Physical properties of Benzoicacid, 2-fluoro-6-nitro- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -1.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 39.72 cm3; (15)Molar Volume: 118 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.568 g/cm3; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 60.98 kJ/mol; (21)Boiling Point: 334.7 °C at 760 mmHg; (22)Vapour Pressure: 4.96E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1F)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
(3)Std. InChIKey: MPDZCNPDHUUPRL-UHFFFAOYSA-N