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| CAS No.: | 20357-65-7 |
|---|---|
| Name: | 6-CHLOROPYRAN-2H-ONE 97 |
| Article Data: | 5 |
| Molecular Structure: | |
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|
|
| Formula: | C5H3ClO2 |
| Molecular Weight: | 130.531 |
| Synonyms: | 6-chloropyran-2h-one;6-Chloro-2H-pyran-2-one;6-Chloro-2-pyrone;6-Chloro-α-pyrone; |
| Density: | 1.387 g/cm3 |
| Boiling Point: | 241.671 °C at 760 mmHg |
| Flash Point: | 125.407 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36-43 |
| Safety: | 26-36/37-45 |
| PSA: | 30.21000 |
| LogP: | 1.29320 |
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Specification
The CAS register number of 2H-Pyran-2-one, 6-chloro- is 20357-65-7. It also can be called as 6-chloropyran-2h-one and the systematic name about this chemical is 6-chloro-2H-pyran-2-one. The molecular formula about this chemical is C5H3ClO2 and the molecular weight is 130.53.
Physical properties about 2H-Pyran-2-one, 6-chloro- are: (1)ACD/LogP: 1.31; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23; (5)ACD/KOC (pH 7.4): 23; (6)#H bond acceptors: 2; (7)Polar Surface Area: 26.3 Å2; (8)Index of Refraction: 1.538; (9)Molar Refractivity: 29.431 cm3; (10)Molar Volume: 94.124 cm3; (11)Polarizability: 11.667x10-24cm3; (12)Surface Tension: 39.878 dyne/cm; (13)Density: 1.387 g/cm3; (14)Flash Point: 125.407 °C; (15)Enthalpy of Vaporization: 47.863 kJ/mol; (16)Boiling Point: 241.671 °C at 760 mmHg; (17)Vapour Pressure: 0.035 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes. It may cause sensitization by skin contact and inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1OC(=O)/C=C\C=1
(2)InChI: InChI=1/C5H3ClO2/c6-4-2-1-3-5(7)8-4/h1-3H
(3)InChIKey: XKFPZGLJYHAVTB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H3ClO2/c6-4-2-1-3-5(7)8-4/h1-3H
(5)Std. InChIKey: XKFPZGLJYHAVTB-UHFFFAOYSA-N