1-Bromo-3-isopropoxybenzene

The Benzene,1-bromo-3-(1-methylethoxy)-, with CAS registry number 131738-73-3, belongs to the following product categories: (1)Anisoles, Alkyloxy Compounds & Phenylacetates; (2)Bromine Compounds. It has the systematic name of 1-bromo-3-(1-methylethoxy)benzene. And the chemical formula of this chemical is C₉H₁₁BrO.

Physical properties of Benzene,1-bromo-3-(1-methylethoxy)-: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 545.91; (6)ACD/BCF (pH 7.4): 545.91; (7)ACD/KOC (pH 5.5): 3168.37; (8)ACD/KOC (pH 7.4): 3168.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 49.84 cm³; (15)Molar Volume: 163 cm³; (16)Polarizability: 19.76×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.319 g/cm³; (19)Flash Point: 104.2 °C; (20)Enthalpy of Vaporization: 44.96 kJ/mol; (21)Boiling Point: 232 °C at 760 mmHg; (22)Vapour Pressure: 0.0919 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-3-(1-methylethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1cc(OC(C)C)ccc1
(2)InChI: InChI=1/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
(3)InChIKey: JYWJZIQSPRFCDB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
(5)Std. InChIKey: JYWJZIQSPRFCDB-UHFFFAOYSA-N