Benzaldehyde,4-fluoro-3-nitro- (42564-51-2)

The IUPAC name of 3-Nitro-4-fluorobenzaldehyde is 4-fluoro-3-nitrobenzaldehyde. With the CAS registry number 42564-51-2, it is also named as Benzaldehyde,4-fluoro-3-nitro-. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C7; Carbonyl Compounds. Besides, it is white to tan crystalline powder, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C₇H₄FNO₃ and molecular weight is 169.11.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.401; (4)ACD/LogD (pH 7.4): 1.401; (5)ACD/BCF (pH 5.5): 6.832; (6)ACD/BCF (pH 7.4): 6.832; (7)ACD/KOC (pH 5.5): 137.717; (8)ACD/KOC (pH 7.4): 137.717; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 39.545 cm³; (14)Molar Volume: 117.151 cm³; (15)Surface Tension: 52.232 dyne/cm; (16)Density: 1.444 g/cm³; (17)Flash Point: 126.766 °C; (18)Melting point: 45-47 °C; (19)Enthalpy of Vaporization: 52.508 kJ/mol; (20)Boiling Point: 285.996 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

Preparation of 3-Nitro-4-fluorobenzaldehyde: this chemical can be prepared by 4-Fluoro-benzaldehyde.



This reaction needs HNO₃ and H₂SO₄. The yield is 100 %.

Uses of 3-Nitro-4-fluorobenzaldehyde: it can react with Malononitrile to get 4-Fluoro-3-nitrobenzylidenemalononitrile.



This reaction needs Piperidine and Ethanol by heating for 30 min. The yield is 63 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(c(cc1C=O)[N+](=O)[O-])F
(2)InChI:InChI=1/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
(3)InChIKey:ILKWFRCNNILIJW-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
(5)Std. InChIKey:ILKWFRCNNILIJW-UHFFFAOYSA-N