Cyclohexaneacetic acid,a-bromo-, ethyl ester supplier

Name
BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER
EINECS
CAS No. 42716-73-4
Article Data6
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇BrO₂
Boiling Point 272.3 °C at 760 mmHg
Molecular Weight 249.148
Flash Point 137.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl bromo(cyclohexyl)acetate;Cyclohexaneacetic acid, α-bromo-, ethyl ester;Bromo-cyclohexyl-acetic acid ethyl ester;
PSA 26.30000
LogP 2.89330

Cyclohexaneacetic acid,a-bromo-, ethyl ester Specification

The Cyclohexaneacetic acid,a-bromo-, ethyl ester with CAS registry number of 42716-73-4 is also known as Bromo-cyclohexyl-acetic acid ethyl ester. The systematic name is Ethyl bromo(cyclohexyl)acetate. In addition, the formula is C₁₀H₁₇BrO₂ and the molecular weight is 249.14.

Physical properties about Cyclohexaneacetic acid,a-bromo-, ethyl ester are: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 3.78; (3)ACD/LogD (pH 7.4): 3.78; (4)ACD/BCF (pH 5.5): 436.71; (5)ACD/BCF (pH 7.4): 436.71; (6)ACD/KOC (pH 5.5): 2700.55; (7)ACD/KOC (pH 7.4): 2700.55; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 55.67 cm³; (12)Molar Volume: 191.7 cm³; (13)Surface Tension: 37.7 dyne/cm; (14)Density: 1.299 g/cm³; (15)Flash Point: 137.3 °C; (16)Enthalpy of Vaporization: 51.05 kJ/mol; (17)Boiling Point: 272.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00615 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)C(Br)C1CCCCC1
2. InChI: InChI=1/C10H17BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
3. InChIKey: FTYNNRHJKRDCEJ-UHFFFAOYAN
4. Std. InChI: InChI=1S/C10H17BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
5. Std. InChIKey: FTYNNRHJKRDCEJ-UHFFFAOYSA-N

Product Name

BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER

Cyclohexaneacetic acid,a-bromo-, ethyl ester Specification

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