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| CAS No.: | 175205-58-0 |
|---|---|
| Name: | 4,6-DICHLORO-2H-BENZOPYRAN-3-CARBOXALDEHYDE |
| Molecular Structure: | |
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| Formula: | C10H6Cl2O2 |
| Molecular Weight: | 229.062 |
| Synonyms: | TIMTEC-BB SBB003291;4,6-Dichloro-2h-benzopyran-3-carboxaldehyde;4,6-Dichloro-2h-chromene-3-carboxaldehyde;4,6-Dichloro(2H)chromene-3-carbaldehyde; |
| EINECS: | 125-489-2 |
| Density: | 1.46 g/cm3 |
| Melting Point: | 124-128 °C(lit.) |
| Boiling Point: | 369.3 °C at 760 mmHg |
| Flash Point: | 166.5 °C |
| Safety: | 22-24/25 |
| PSA: | 26.30000 |
| LogP: | 2.88120 |
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Specification
The CAS register number of 2H-1-Benzopyran-3-carboxaldehyde,4,6-dichloro- is 175205-58-0. It also can be called as 4,6-Dichloro-2h-benzopyran-3-carboxaldehyde and the systematic name about this chemical is 4,6-dichloro-2H-chromene-3-carbaldehyde. The molecular formula about this chemical is C10H6Cl2O2 and the molecular weight is 229.06. It belongs to the following product categories which include PyransHeterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans and so on.
Physical properties about 2H-1-Benzopyran-3-carboxaldehyde,4,6-dichloro- are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.46; (3)ACD/LogD (pH 7.4): 3.46; (4)ACD/BCF (pH 5.5): 251.66; (5)ACD/BCF (pH 7.4): 251.66; (6)ACD/KOC (pH 5.5): 1820.17; (7)ACD/KOC (pH 7.4): 1820.17; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 54.42 cm3; (13)Molar Volume: 155.8 cm3; (14)Polarizability: 21.57x10-24cm3; (15)Surface Tension: 51.7 dyne/cm; (16)Density: 1.46 g/cm3; (17)Flash Point: 166.5 °C; (18)Enthalpy of Vaporization: 61.61 kJ/mol; (19)Boiling Point: 369.3 °C at 760 mmHg; (20)Vapour Pressure: 1.2E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, do not breathe dust and avoid contact with skin and eyes. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with air, oxide.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1OCC(=C(/Cl)c1c2)/C=O
(2)InChI: InChI=1/C10H6Cl2O2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-4H,5H2
(3)InChIKey: XEGONRKPLYJCFN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H6Cl2O2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-4H,5H2
(5)Std. InChIKey: XEGONRKPLYJCFN-UHFFFAOYSA-N