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42330-88-1

Basic Information
CAS No.: 42330-88-1
Name: 2-(3-Chloropropoxy)tetrahydro-2H-Pyran
Molecular Structure:
Molecular Structure of 42330-88-1 (2-(3-Chloropropoxy)tetrahydro-2H-Pyran)
Formula: C8H15ClO2
Molecular Weight: 178.659
Synonyms: 2-(3-chloropropoxy)oxane;2-(3-Chloropropoxy)tetrahydro-2H-pyran;
Density: 1.06 g/cm3
Boiling Point: 247.4 °C at 760 mmHg
Flash Point: 89.4 °C
PSA: 18.46000
LogP: 2.15850
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Specification

This chemical is called 2-(3-Chloropropoxy)oxane, and its systematic name is 2-(3-chloropropoxy)tetrahydro-2H-pyran. With the molecular formula of  C8H15ClO2, its molecular weight is 178.6565. The CAS registry number of this chemical is 42330-88-1. Additionally, its product categories are Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans; Pyrans Heterocyclic Building Blocks.

Other characteristics of the 2-(3-Chloropropoxy)oxane can be summarised as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.454; (8)Molar Refractivity: 45.33 cm3; (9)Molar Volume: 167.1 cm3; (10)Polarizability: 17.97×10-24cm3; (11)Surface Tension: 32.3 dyne/cm; (12)Density: 1.06 g/cm3; (13)Flash Point: 89.4 °C; (14)Enthalpy of Vaporization: 46.5 kJ/mol; (15)Boiling Point: 247.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0404 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCCCOC1OCCCC1
2.InChI: InChI=1/C8H15ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2
3.InChIKey: QFXXARKSLAKVRL-UHFFFAOYAD