2-Nitrobenzaldehyde

The 2-Nitrobenzaldehyde , with the CAS register number 552-89-6, is also known to us as benzaldehyde, o-nitro-;benzaldehyde,2-nitro-;o-nitro-benzaldehyd;2-nitrobenzaldehyde;2-formylnitrobenzene;akos bbs-00003153;akos 93864;nitrobenzaldehyde-2;orthonitro benzaldehyde;o-nitrobenzaldehyde;2-nitobenzaldehyde;o-nitrobbenzaldehyde;o-nitrobenzaldehyde(2-nitrobenzaldehyde);2-nitrobenzaldehyde, for the determ. of methyl ketones;2-nitrobenzaldehydegr;o-nitrobenzaldehyde99.5%;2-nitrobenzaldehyde, 98+%;2-nitrobenzaldehyde, 99+%;o-nitrobenzaldehyde (ortho-nitrobenzaldehyde) .

The physical properties of this kind of chemical are as following: (1)ACD/BCF (pH 5.5):  12.37  ; (2)ACD/BCF (pH 7.4):  12.37  ; (3)ACD/KOC (pH 5.5):  210.65  ; (4)ACD/KOC (pH 7.4):  210.65  ; (5)#H bond acceptors:  4  ; (6)#Freely Rotating Bonds:  2  ; (7)Polar Surface Area:  62.89  ; (8)Index of Refraction:  1.617  ; (9)Molar Refractivity:  39.55 cm³  ; (10)Molar Volume:  112.9 cm³  ; (11)Polarizability:  15.67 ×10^-24 cm³  ; (12)Surface Tension:  55.1 dyne/cm  ; (13)Density:  1.338 g/cm³  ; (14)Flash Point:  144 °C  ; (15)Enthalpy of Vaporization:  50.63 kJ/mol  ; (16)Boiling Point:  268.2 °C at 760 mmHg  ; (17)Vapour Pressure:  0.0078 mmHg at 25°C .

It is a kind of light yellow acicular crystal with the same odour of benzaldehyde, and is soluble in ethonal and aether, benzene while slightly soluble in water. And it is sensitive to air. Being a kind of harmful chemical, it may cause damage to health; and if swallowed, it will be very harmful. Besides, it is also irritant to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. What's more, it will have possible risk of irreversible effects. Therefore, while using this chemical, you need to be cautious. Wear suitable protective clothing, gloves and eye/face protection and void contact with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Then you could also go to WGK Germany : 2 to get more safety information .

This kind of chemical could be used as the organic synthesis intermediate, such as being used to produce the nifedipine which is the antianginal drug in the phamaceutic industry. Besides, it could also to be used in composing quinoline loops drugs when its nitro be turned into amino. When it comes to its production method, you could get it through the following ways. The first way is to react it with acetic anhydride and then hydrolyze and then you could get it; The second way is to nitrify it and then have the oxidation and finally you could get it. If you need to store it, you should keep it at room temperature.

In addition, you could refer to the following data information to get the molecular structure:
SMILES:N#Cc1cccc([N+]([O-])=O)c1
InChI:InChI=1/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H
InChIKey:RUSAWEHOGCWOPG-UHFFFAOYAS

Below are the toxicity information of this kind of chemcial: