Basic information
- Name:
Sieber linker
- CAS No.:
3722-51-8
- Molecular Structure:
- Formula:
- C13H8O3
- Molecular Weight:
- 212.20
- Synonyms:
- Xanthen-9-one,3-hydroxy- (6CI,7CI,8CI);Xanthone, 3-hydroxy- (4CI);3-Hydroxyxanthen-9-one;3-Hydroxyxanthone;Weinreb Linker;9H-Xanthen-9-one,3-hydroxy-;
- Density:
- 1.396 g/cm3
- Melting Point:
- 243 °C
- Boiling Point:
- 403.876 °C at 760 mmHg
- Flash Point:
- 162.905 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The Sieber linker, with the CAS registry number 3722-51-8, is also known as 9H-Xanthen-9-one,3-hydroxy-. It belongs to the product category of Linkers for Solid Phase Synthesis. This chemical's molecular formula is C13H8O3 and molecular weight is 212.20. What's more, its systematic name is 3-Hydroxy-9H-xanthen-9-one.
Physical properties of Sieber linker are: (1)ACD/LogP: 3.215; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 162.02; (6)ACD/BCF (pH 7.4): 93.35; (7)ACD/KOC (pH 5.5): 1324.50; (8)ACD/KOC (pH 7.4): 763.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 57.413 cm3; (15)Molar Volume: 152.042 cm3; (16)Polarizability: 22.76×10-24cm3; (17)Surface Tension: 61.143 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 162.905 °C; (20)Enthalpy of Vaporization: 68.075 kJ/mol; (21)Boiling Point: 403.876 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(Oc2c1ccc(O)c2)cccc3
(2)Std. InChI: InChI=1S/C13H8O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H
(3)Std. InChIKey: XCJHDJAODLKGLG-UHFFFAOYSA-N