Benzene,1,2,4-trimethyl-5-nitro- (610-91-3)

The 5-Nitropseudocumene with the CAS number 610-91-3 is also called Benzene,1,2,4-trimethyl-5-nitro-. The IUPAC name is 1,2,4-trimethyl-5-nitrobenzene. Its molecular formula is C₉H₁₁NO₂. The EINECS registry number is 210-238-9. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Nitropseudocumene are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.542; (10)Molar Refractivity: 47.27 cm³; (11)Molar Volume: 150.1 cm³; (12)Polarizability: 18.74×10^-24cm³; (13)Surface Tension: 39.2 dyne/cm; (14)Enthalpy of Vaporization: 48.26 kJ/mol; (15)Vapour Pressure: 0.0154 mmHg at 25°C.

Preparation: This chemical can be prepared by 1,2,4-trimethyl-benzene. This reaction needs reagent concentrated nitric acid.

Uses: This chemical can prepare 2,4,5-trimethyl-aniline. This reaction needs reagent 2,4,5-trimethyl-aniline.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc([N+]([O-])=O)c(C)cc1C
(2)InChI: InChI=1/C9H11NO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3
(3)InChIKey: WILMQVBUVCETSB-UHFFFAOYAJ