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2H-Pyran,2-(4-chlorobutoxy)tetrahydro-

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Name

2H-Pyran,2-(4-chlorobutoxy)tetrahydro-

EINECS 255-305-3
CAS No. 41302-05-0 Density 1.04 g/cm3
PSA 18.46000 LogP 2.54860
Solubility N/A Melting Point N/A
Formula C9H17ClO2 Boiling Point 268.2 °C at 760 mmHg
Molecular Weight 192.686 Flash Point 93.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41302-05-0 (2-(4-CHLOROBUTOXY)TETRAHYDROPYRAN) Hazard Symbols N/A
Synonyms

Pyran,2-(4-chlorobutoxy)tetrahydro- (6CI,7CI);1-Chloro-4-(tetrahydropyranyloxy)butane;2-(4-Chlorobutoxy)tetrahydropyran;2-(4-Chlorobutyloxy)tetrahydropyran;4-(Tetrahydro-2-pyranyloxy)-1-chlorobutane;4-Chloro-1-(tetrahydropyranyloxy)butane;4-Chloro-1-butanol tetrahydropyranylether;4-Chlorobutanol tetrahydropyranyl ether;4-Chlorobutyl tetrahydropyranylether;

Article Data 45

2H-Pyran,2-(4-chlorobutoxy)tetrahydro- Specification

The CAS register number of 2H-Pyran,2-(4-chlorobutoxy)tetrahydro- is 41302-05-0. It also can be called as 4-Chloro-1-(tetrahydropyranyloxy)butane and the IUPAC name about this chemical is 2-(4-chlorobutoxy)oxane. The molecular formula about this chemical is C9H17ClO2 and the molecular weight is 192.68.

Physical properties about 2H-Pyran,2-(4-chlorobutoxy)tetrahydro- are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.27; (5)ACD/BCF (pH 7.4): 9.27; (6)ACD/KOC (pH 5.5): 171.34; (7)ACD/KOC (pH 7.4): 171.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.456; (12)Molar Refractivity: 49.96 cm3; (13)Molar Volume: 183.5 cm3; (14)Polarizability: 19.8x10-24cm3; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 1.04 g/cm3; (17)Flash Point: 93.9 °C; (18)Enthalpy of Vaporization: 48.58 kJ/mol; (19)Boiling Point: 268.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0129 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-chloro-butan-1-ol and 3,4-dihydro-2H-pyran. The yield is about 80%.

2H-Pyran,2-(4-chlorobutoxy)tetrahydro- can be prepared by 4-chloro-butan-1-ol and 3,4-dihydro-2H-pyran.

Uses of 2H-Pyran,2-(4-chlorobutoxy)tetrahydro-: it can be used to produce 1-[4-(tetrahydro-pyran-2-yloxy)-butyl]-piperidin-2-one with piperidin-2-one. This reaction needs heating. This reaction will need reagents of Bu4NBr, KOH and solvent of tetrahydrofuran. The reaction time is 9 hours. The yield is about 44%.

2H-Pyran,2-(4-chlorobutoxy)tetrahydro- can be used to produce 1-[4-(tetrahydro-pyran-2-yloxy)-butyl]-piperidin-2-one with piperidin-2-one.

When you are using this chemical, please be cautious about it as the following:
This chemical is slightly hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. Normally it will not be decomposed and no dangerous reaction. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCOC1OCCCC1
(2)InChI: InChI=1/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
(3)InChIKey: SZZINZURZKQZLG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
(5)Std. InChIKey: SZZINZURZKQZLG-UHFFFAOYSA-N

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