Benzoicacid, 4-bromo-3,5-diethoxy-, ethyl ester supplier

Name
BENZOIC ACID, 4-BROMO-3,5-DIETHOXY-, ETHYL ESTER
EINECS
CAS No. 149517-92-0
Article Data9
CAS DataBase
Density 1.316 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇BrO₄
Boiling Point 390.038 °C at 760 mmHg
Molecular Weight 317.18
Flash Point 189.689 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-bromo-3,5-diethoxybenzoate;
PSA 44.76000
LogP 3.42320

Benzoicacid, 4-bromo-3,5-diethoxy-, ethyl ester Specification

The Benzoicacid, 4-bromo-3,5-diethoxy-, ethyl ester has the CAS registry number 149517-92-0. This chemical's molecular formula is C₁₃H₁₇BrO₄ and molecular weight is 317.18. What's more, its systematic name is Ethyl 4-bromo-3,5-diethoxybenzoate.

Physical properties of Benzoicacid, 4-bromo-3,5-diethoxy-, ethyl ester are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 451; (6)ACD/BCF (pH 7.4): 451; (7)ACD/KOC (pH 5.5): 2765; (8)ACD/KOC (pH 7.4): 2765; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 72.972 cm³; (15)Molar Volume: 241.036 cm³; (16)Polarizability: 28.928×10^-24cm³; (17)Surface Tension: 37.209 dyne/cm; (18)Density: 1.316 g/cm³; (19)Flash Point: 189.689 °C; (20)Enthalpy of Vaporization: 63.946 kJ/mol; (21)Boiling Point: 390.038 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(OCC)cc(cc1OCC)C(=O)OCC
(2)InChI: InChI=1/C13H17BrO4/c1-4-16-10-7-9(13(15)18-6-3)8-11(12(10)14)17-5-2/h7-8H,4-6H2,1-3H3
(3)InChIKey: XSUFUYMALAOLHR-UHFFFAOYSA-N

Product Name

BENZOIC ACID, 4-BROMO-3,5-DIETHOXY-, ETHYL ESTER

Benzoicacid, 4-bromo-3,5-diethoxy-, ethyl ester Specification

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