Benzene,4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)- supplier

Name
Benzene, 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-
EINECS
CAS No. 172900-73-1
Article Data12
CAS DataBase
Density 1.298g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇BrO₃
Boiling Point 342.219 °C at 760 mmHg
Molecular Weight 289.169
Flash Point 139.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromomethyl-1-methoxy-2-(3-methoxypropoxy)benzene;4-Methoxy-3-(3-methoxypropoxy)benzyl bromide;
PSA 27.69000
LogP 3.00540

Benzene,4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)- Specification

The Benzene,4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-, with CAS registry number 172900-73-1, has the systematic name of 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)benzene. And the chemical formula of this chemical is C₁₂H₁₇BrO₃. The main use of this chemical is for the intermediate in the preparation of Aliskiren.

Physical properties of Benzene,4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 65; (6)ACD/BCF (pH 7.4): 65; (7)ACD/KOC (pH 5.5): 692; (8)ACD/KOC (pH 7.4): 692; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 67.902 cm³; (15)Molar Volume: 222.813 cm³; (16)Polarizability: 26.918×10^-24cm³; (17)Surface Tension: 36.746 dyne/cm; (18)Density: 1.298 g/cm³; (19)Flash Point: 139.2 °C; (20)Enthalpy of Vaporization: 56.277 kJ/mol; (21)Boiling Point: 342.219 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(OCCCOC)c(OC)cc1
(2)InChI: InChI=1/C12H17BrO3/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8H,3,6-7,9H2,1-2H3
(3)InChIKey: QPFGFFCEZXPGLD-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H17BrO3/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8H,3,6-7,9H2,1-2H3
(5)Std. InChIKey: QPFGFFCEZXPGLD-UHFFFAOYSA-N

Product Name

Benzene, 4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-

Benzene,4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)- Specification

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