Benzoic acid,4-(3-bromopropoxy)-, methyl ester supplier

Name
4-(3-BROMO-PROPOXY)-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 135998-88-8
Article Data17
CAS DataBase
Density 1.382g/cm³
Solubility
Melting Point 71-73°C
Formula C₁₁H₁₃BrO₃
Boiling Point 357 °C at 760 mmHg
Molecular Weight 273.126
Flash Point 169.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(3-Bromopropoxy)benzoicacid methyl ester;
PSA 35.53000
LogP 2.63700

Benzoic acid,4-(3-bromopropoxy)-, methyl ester Specification

The Benzoic acid,4-(3-bromopropoxy)-, methyl ester, with CAS registry number 135998-88-8, has the systematic name of methyl 4-(3-bromopropoxy)benzoate. Besides this, it is also called 4-(3-Bromo-propoxy)-benzoic acid methyl ester. And the chemical formula of this chemical is C₁₁H₁₃BrO₃.

Physical properties of Benzoic acid,4-(3-bromopropoxy)-, methyl ester: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 61.7 cm³; (9)Molar Volume: 197.5 cm³; (10)Polarizability: 24.46×10^-24cm³; (11)Surface Tension: 41.2 dyne/cm; (12)Density: 1.382 g/cm³; (13)Flash Point: 169.7 °C; (14)Enthalpy of Vaporization: 60.23 kJ/mol; (15)Boiling Point: 357 °C at 760 mmHg; (16)Vapour Pressure: 2.82E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(OCCCBr)cc1
(2)InChI: InChI=1/C11H13BrO3/c1-14-11(13)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3
(3)InChIKey: UXQAWAAALKEOIM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H13BrO3/c1-14-11(13)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3
(5)Std. InChIKey: UXQAWAAALKEOIM-UHFFFAOYSA-N

Product Name

4-(3-BROMO-PROPOXY)-BENZOIC ACID METHYL ESTER

Benzoic acid,4-(3-bromopropoxy)-, methyl ester Specification

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