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| CAS No.: | 18420-41-2 |
|---|---|
| Name: | 2-(CHLOROMETHYL)TETRAHYDROPYRAN |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11ClO |
| Molecular Weight: | 134.606 |
| Synonyms: | Pyran,2-(chloromethyl)tetrahydro- (7CI);2-(Chloromethyl)oxane;2-(Chloromethyl)tetrahydro-2H-pyran;2-(Chloromethyl)tetrahydropyran;NSC 33119; |
| Density: | 1.035 g/cm3 |
| Boiling Point: | 166.4 °C at 760 mmHg |
| Flash Point: | 55 °C |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 9.23000 |
| LogP: | 1.79430 |
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Specification
The CAS register number of 2H-Pyran,2-(chloromethyl)tetrahydro- is 18420-41-2. It also can be called as 2-(Chloromethyl)tetrahydropyran and the IUPAC name about this chemical is 2-(chloromethyl)oxane. The molecular formula about this chemical is C6H11ClO and the molecular weight is 134.6. It belongs to the following product categories which include Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans; PyransHeterocyclic Building Blocks and so on.
Physical properties about 2H-Pyran,2-(chloromethyl)tetrahydro- are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 5.54; (5)ACD/BCF (pH 7.4): 5.54; (6)ACD/KOC (pH 5.5): 118.56; (7)ACD/KOC (pH 7.4): 118.56; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 34.2 cm3; (13)Molar Volume: 129.9 cm3; (14)Polarizability: 13.56x10-24cm3; (15)Surface Tension: 31.3 dyne/cm; (16)Density: 1.035 g/cm3; (17)Flash Point: 55 °C; (18)Enthalpy of Vaporization: 38.63 kJ/mol; (19)Boiling Point: 166.4 °C at 760 mmHg; (20)Vapour Pressure: 2.35 mmHg at 25 °C.
Preparation: this chemical can be prepared by tetrahydropyran-2-yl-methanol. This reaction will need reagents of pyridine, thionyl chloride.
tetrahydro-.jpg)
Uses of 2H-Pyran,2-(chloromethyl)tetrahydro-: it can be used to produce hex-5-en-1-ol. This reaction will need reagents of sodium, diethyl ether.
tetrahydro-.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and irritating to eyes, respiratory system and skin. It is stable under normal temperature and pressure. It may cause destroy living tissue on contact and inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. If you want to store it, keep away from sources of ignition and you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC1OCCCC1
(2)InChI: InChI=1/C6H11ClO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
(3)InChIKey: PPYKTTGONDVGPX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H11ClO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
(5)Std. InChIKey: PPYKTTGONDVGPX-UHFFFAOYSA-N