4-ETHYL-3-NITROBENZALDEHYDE 97

The CAS register number of Benzaldehyde,4-ethyl-3-nitro- is 4748-80-5. The IUPAC name about this chemical is 4-ethyl-3-nitrobenzaldehyde. The molecular formula about this chemical is C₉H₉NO₃ and the molecular weight is 179.174. It belongs to the following product categories which include Aldehydes; C₉; Carbonyl Compounds and so on.

Physical properties about Benzaldehyde,4-ethyl-3-nitro- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 71.36; (5)ACD/BCF (pH 7.4): 71.36; (6)ACD/KOC (pH 5.5): 738.47; (7)ACD/KOC (pH 7.4): 738.47; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 62.89 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 49.1 cm³; (13)Molar Volume: 145.7 cm³; (14)Polarizability: 19.46x10^-24cm³; (15)Surface Tension: 48.3 dyne/cm; (16)Density: 1.229 g/cm³; (17)Flash Point: 132.5 °C; (18)Enthalpy of Vaporization: 52.82 kJ/mol; (19)Boiling Point: 288.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00227 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause sensitization by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with strong oxidants. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(ccc1CC)C=O
(2)InChI: InChI=1/C9H9NO3/c1-2-8-4-3-7(6-11)5-9(8)10(12)13/h3-6H,2H2,1H3
(3)InChIKey: PQNRTCSIGGYXNB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9NO3/c1-2-8-4-3-7(6-11)5-9(8)10(12)13/h3-6H,2H2,1H3
(5)Std. InChIKey: PQNRTCSIGGYXNB-UHFFFAOYSA-N