4-ISOPROPYL BENZYL BROMIDE 97

The IUPAC name of 4-Isopropylbenzyl bromide is 1-(Bromomethyl)-4-propan-2-ylbenzene. With the CAS registry number 73789-86-3, it is also named as Benzene,1-(bromomethyl)-4-(1-methylethyl)-. The product's categories are aryl, c9 to c12, halogenated hydrocarbons, c9 to c12, halogenated hydrocarbons. In addition, its molecular formula is C₁₀H₁₃Br and its molecular weight is 213.11. 

The other characteristics of 4-Isopropylbenzyl bromide can be summarized as: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1013.82; (6)ACD/BCF (pH 7.4): 1013.82; (7)ACD/KOC (pH 5.5): 4934.77; (8)ACD/KOC (pH 7.4): 4934.77; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 53.08 cm³; (15)Molar Volume: 168.9 cm³; (16)Polarizability: 21.04×10^-24cm³; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 101.4 °C; (20)Enthalpy of Vaporization: 45.82 kJ/mol; (21)Boiling Point: 240.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0582 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 4-Isopropylbenzyl bromide may cause burns. Please wear suitable protective clothing, gloves and eye/face protection and do not breathe vapour. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:BrCc1ccc(cc1)C(C)C
(2)InChI:InChI=1/C10H13Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
(3)InChIKey:YXTHBZLABLYGEE-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C10H13Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
(5)Std. InChIKey:YXTHBZLABLYGEE-UHFFFAOYSA-N