2-Chloro-6-nitrobenzaldehyde

The 2-Chloro-6-nitrobenzaldehyde, with the CAS registry number 6361-22-4, is also known as 2-Nitro-6-chlorobenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); C; Stains and Dyes; Stains&Dyes, A to. Its EINECS registry number is 228-831-6. This chemical's molecular formula is C₇H₄ClNO₃ and molecular weight is 185.56. Its IUPAC name is called 2-chloro-6-nitrobenzaldehyde.

Physical properties of 2-Chloro-6-nitrobenzaldehyde: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.81; (6)ACD/BCF (pH 7.4): 48.81; (7)ACD/KOC (pH 5.5): 562.7; (8)ACD/KOC (pH 7.4): 562.7; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 44.44 cm³; (13)Molar Volume: 124.8 cm³; (14)Surface Tension: 57.3 dyne/cm; (15)Density: 1.485 g/cm³; (16)Flash Point: 134.5 °C; (17)Enthalpy of Vaporization: 53.88 kJ/mol; (18)Boiling Point: 298.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00124 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-6-nitro-benzyl alcohol. This reaction will need reagent aq. H₂SO₄, K₂Cr₂O₇.

Uses of 2-Chloro-6-nitrobenzaldehyde: it can be used to produce 1-(6'-chloro-2'-nitrophenyl)-2-nitroprop-1-ene by heating. This reaction will need reagent CH₃COONH₄ and solvent acetic acid with reaction time of 4 hours. The yield is about 55%.

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 gloves and eye/face protection

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=O)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H
(3)InChIKey: RZDOUWDCYULHJX-UHFFFAOYSA-N