5-Chloropentyl benzoate supplier

Name
5-Chloropentyl benzoate
EINECS
CAS No. 55092-47-2
Article Data15
CAS DataBase
Density 1.107 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅ClO₂
Boiling Point 320 °C at 760 mmHg
Molecular Weight 226.703
Flash Point 156.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzoyloxy-5-chloropentane;5-chloropentyl benzoate;benzoic acid 5-chloropentyl ester;
PSA 26.30000
LogP 3.25250

5-Chloropentyl benzoate Specification

The CAS register number of 5-Chloropentyl benzoate is 55092-47-2. It also can be called as Benzoic acid 5-chloropentyl ester and the IUPAC name about this chemical is 5-chloropentyl benzoate. The molecular formula about this chemical is C₁₂H₁₅ClO₂and molecular weight is 226.70.

Physical properties about 5-Chloropentyl benzoate are: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 649.85; (5)ACD/BCF (pH 7.4): 649.85; (6)ACD/KOC (pH 5.5): 3589.33; (7)ACD/KOC (pH 7.4): 3589.33; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 61.4 cm³; (13)Molar Volume: 204.7 cm³; (14)Polarizability: 24.34x10^-24cm³; (15)Surface Tension: 38.4 dyne/cm; (16)Enthalpy of Vaporization: 56.16 kJ/mol; (17)Boiling Point: 320 °C at 760 mmHg; (18)Vapour Pressure: 0.000327 mmHg at 25°C.

Preparation: this chemical can be prepared by tetrahydropyran and benzoyl chloride. This reaction will need reagent MoCl₅ and solvent 1,2-dichloro-ethane. The reaction time is 3 hour(s) with reaction temperature of 80 ℃. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCl)c1ccccc1
(2)InChI: InChI=1/C12H15ClO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
(3)InChIKey: XIOZPPYPTAEPGJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H15ClO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
(5)Std. InChIKey: XIOZPPYPTAEPGJ-UHFFFAOYSA-N

Product Name

5-Chloropentyl benzoate

5-Chloropentyl benzoate Specification

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