3-METHYL-4-NITROBENZYL BROMIDE 97

The Benzene, 4-(bromomethyl)-2-methyl-1-nitro-, with the CAS registry number 141281-38-1, is also known as 3-Methyl-4-nitrobenzylbromide. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₈H₈BrNO₂ and molecular weight is 230.06. What's more, its systematic name is 4-(Bromomethyl)-2-methyl-1-nitrobenzene.

Physical properties about Benzene, 4-(bromomethyl)-2-methyl-1-nitro- are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.81; (6)ACD/BCF (pH 7.4): 135.81; (7)ACD/KOC (pH 5.5): 1170.49; (8)ACD/KOC (pH 7.4): 1170.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 50.27 cm³; (15)Molar Volume: 147 cm³; (16)Polarizability: 19.92×10^-24 cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.564 g/cm³; (19)Flash Point: 141.7 °C; (20)Enthalpy of Vaporization: 52.96 kJ/mol; (21)Boiling Point: 310.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00108 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(cc1C)CBr
(2) InChI: InChI=1/C8H8BrNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3
(3) InChIKey: WOUWGCLQOJPWHS-UHFFFAOYAV