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948550-74-1

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Basic Information
CAS No.: 948550-74-1
Name: 2-Bromo-5-(bromomethyl)-1,3-dimethoxybenzene
Molecular Structure:
Molecular Structure of 948550-74-1 (2-Bromo-5-(bromomethyl)-1,3-dimethoxybenzene)
Formula: C9H10Br2O2
Molecular Weight: 309.98
Synonyms: 2-Bromo-5-(bromomethyl)-1,3-dimethoxybenzene;
Density: 1.693 g/cm3
Boiling Point: 340.101 °C at 760 mmHg
Flash Point: 138.259 °C
PSA: 18.46000
LogP: 3.36120
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Specification

The 2-Bromo-5-(bromomethyl)-1,3-dimethoxybenzene is an organic compound with the formula C9H10Br2O2. The systematic name of this chemical is 2-bromo-5-(bromomethyl)-1,3-dimethoxy-benzene. With the CAS registry number 948550-74-1, it is also named as benzene, 2-bromo-5-(bromomethyl)-1,3-dimethoxy-.

Physical properties about 2-Bromo-5-(bromomethyl)-1,3-dimethoxybenzene are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.643; (3)ACD/LogD (pH 7.4): 3.643; (4)ACD/BCF (pH 5.5): 345.977; (5)ACD/BCF (pH 7.4): 345.977; (6)ACD/KOC (pH 5.5): 2285.888; (7)ACD/KOC (pH 7.4): 2285.888; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 59.948 cm3; (13)Molar Volume: 183.115 cm3; (14)Polarizability: 23.765×10-24cm3; (15)Surface Tension: 39.843 dyne/cm; (16)Density: 1.693 g/cm3; (17)Flash Point: 138.259 °C; (18)Enthalpy of Vaporization: 56.051 kJ/mol; (19)Boiling Point: 340.101 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1Br)OC)CBr
(2)InChI: InChI=1/C9H10Br2O2/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4H,5H2,1-2H3
(3)InChIKey: CFSLZFORZMVWTE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H10Br2O2/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4H,5H2,1-2H3
(5)Std. InChIKey: CFSLZFORZMVWTE-UHFFFAOYSA-N