The 4-Nitrobenzaldehyde , with the CAS register number 555-16-8, is also known to us as 4-nitrobenzaldehyde;4-formylnitrobenzene;akos bbs-00003206;p-nitrobenzaldehyde;p-formylnitrobenzene;4-nitro-benzaldehyd;benzaldehyde, p-nitro-;benzaldehyde,4-nitro- .

The physical properties of this chemcial are as the following: (1)#H bond acceptors:  4  ; (2)#Freely Rotating Bonds:  2  ; (3)Polar Surface Area:  62.89   ; (4)Index of Refraction:  1.617  ; (5)Molar Refractivity:  39.55 cm³  ; (6)Molar Volume:  112.9 cm³  ; (7)Polarizability:  15.67 ×10^-24 cm³  ; (8)Surface Tension:  55.1 dyne/cm ; (9)Density:  1.338 g/cm³  ; (10)Flash Point:  155.2 °C  ; (11)Enthalpy of Vaporization:  53.96 kJ/mol  ; (12)Boiling Point:  299.6 °C at 760 mmHg  ; (13)Vapour Pressure:  0.00118 mmHg at 25°C .

It is a kind of white or light yellow prismatic crystal and it is sensitive in air. Besides, it is soluble in ethanal,benzene and acetic acid and slightly soluble in water and ethyl ether. And it could sublimate and volatilize with steam.

What's more, it is usually used in being the intermediate of organic synthesis, such as dying and pharmaceutics. And it is usually applied in the medicine industry to produce the nitro benzylidene acetone. As to its product category, it is various, including fine chemical & intermediates;aromatic aldehydes & derivatives (substituted);benzaldehyde;aldehydes;c7;carbonyl compounds;spectroscopy;uv/vis reagents;uv/visible (uv/vis) spectroscopy. If you need the production method, there is a simple way to get it. Prepare the raw material of nitrotoluene and acetic anhydride, and then go through the process of oxidation and hydrolyzation, finally you could obtain 4-nitrobenzaldehyde .

Being an irritant chemical, it is harmful to to eyes, respiratory system and skin, and it may cause sensitisation by skin contact. Besides, it may cause inflammation to the skin or other mucous membranes. What's more, it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it could have possible risk of irreversible effects.

As for its harmful properties, you need to be very cautious while dealing with this kind of chemcial. Firstly, wear suitable protective clothing, gloves and eye/face protection and avoid contact with skin and eyes. Secondly, if in case of contacing with eyes, rinse immediately with plenty of water and seek medical advice. Thirdly, avoid releasing to the environment and refer to special instructions/safety data sheet. If you need more safety information, you could also refer to the WGK Germany  2.
 
In addition, you could get the molecular structure by converting the following datas:
SMILES:O=[N+]([O-])c1ccc(C=O)cc1
InChI:InChI=1/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChIKey:BXRFQSNOROATLV-UHFFFAOYAO

Below is the toxicity information of this chemical: