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| CAS No.: | 67029-84-9 |
|---|---|
| Name: | 6-CHLORO-7-METHYLCHROMONE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H7ClO2 |
| Molecular Weight: | 194.617 |
| Synonyms: | 6-Chloro-7-methylchromone; |
| Density: | 1.339 g/cm3 |
| Melting Point: | 171-173 °C (dec.)(lit.) |
| Boiling Point: | 323.1 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 30.21000 |
| LogP: | 2.75480 |
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Specification
The 4H-1-Benzopyran-4-one,6-chloro-7-methyl-, with the CAS registry number of 67029-84-9, is also known as 6-Chloro-7-methylchromone. Its molecular formula is C10H7ClO2 and molecular weight is 194.61. What's more, its systematic name is 6-Chloro-7-methyl-4H-chromen-4-one. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should keep it away from oxidant.
Physical properties about the 4H-1-Benzopyran-4-one,6-chloro-7-methyl- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 49.48 cm3; (9)Molar Volume: 145.3 cm3; (10)Surface Tension: 47.2 dyne/cm; (11)Density: 1.339 g/cm3; (12)Flash Point: 146.2 °C; (13)Enthalpy of Vaporization: 56.51 kJ/mol; (14)Boiling Point: 323.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000267 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2c(cc1O/C=C\C(=O)c1c2)C
(2) InChI: InChI=1/C10H7ClO2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h2-5H,1H3
(3) InChIKey: UQXYHMICNLSDMN-UHFFFAOYAR