4-Methyl-3-nitrobenzaldehyde

The 4-Methyl-3-nitrobenzaldehyde, with the CAS registry number 31680-07-6, is also known as 3-Nitro-p-tolualdehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Aldehydes; C8; Carbonyl Compounds. Its EINECS registry number is 250-760-4. This chemical's molecular formula is C₈H₇NO₃ and molecular weight is 165.15. Its IUPAC name is called 4-methyl-3-nitrobenzaldehyde. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 4-Methyl-3-nitrobenzaldehyde: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.16; (5)ACD/BCF (pH 7.4): 28.16; (6)ACD/KOC (pH 5.5): 379.56; (7)ACD/KOC (pH 7.4): 379.56; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 44.37 cm³; (12)Molar Volume: 129.2 cm³; (13)Surface Tension: 51 dyne/cm; (14)Density: 1.278 g/cm³; (15)Flash Point: 130.1 °C; (16)Enthalpy of Vaporization: 51.48 kJ/mol; (17)Boiling Point: 276.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00485 mmHg at 25°C.

Preparation of 4-Methyl-3-nitrobenzaldehyde: this chemical can be prepared by 4-methyl-benzaldehyde. This reaction will need reagents concentrated sulfuric acid and concentrated nitric acid.

Uses of 4-Methyl-3-nitrobenzaldehyde: it can be used to produce 4-methyl-3-nitro-benzonitrile by heating. This reaction is a kind of Condensation. It will need reagents NH₂OH•HCl, pyridine, formamide and solvent xylene with reaction time of 5 hours. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)C=O)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3
(3)InChIKey: KHWGAWBXQOKXIJ-UHFFFAOYSA-N