

Daidzin
Catalog No: FT-0603140
CAS No: 552-66-9
- Molecular Formula: 416.4
- Formula Weight: C21H20O9
- Inchl Key: KYQZWONCHDNPDP-QNDFHXLGSA-N
- Inchl: InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Melting_Point: | 234-236°C |
---|---|
CAS: | 552-66-9 |
MF: | C21H20O9 |
Flash_Point: | 259.8±26.4 °C |
Product_Name: | Daidzin |
Density: | 1.6±0.1 g/cm3 |
FW: | 416.378 |
Bolling_Point: | 727.6±60.0 °C at 760 mmHg |
Refractive_Index: | 1.695 |
---|---|
Vapor_Pressure: | 0.0±2.5 mmHg at 25°C |
Flash_Point: | 259.8±26.4 °C |
LogP: | 0.45 |
Bolling_Point: | 727.6±60.0 °C at 760 mmHg |
FW: | 416.378 |
PSA: | 149.82000 |
Computational_Chemistry: | ['1 . XlogP 07 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 146 ', '7 . Heavy Atom Count 30 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 644 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 5 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1'] |
Melting_Point: | 234-236°C |
MF: | C21H20O9 |
Exact_Mass: | 416.110718 |
Molecular_Structure: | ['1 . Molar refractive index 10179 ', '2 . Molar volume (m3/mol)1647 ', '3 . Parachor (902K)7986 ', '4 . Surface tension 827 ', '5 . Polarizability 4035'] |
Density: | 1.6±0.1 g/cm3 |
More_Info: | ['1 . Appearance 苍Yellow 棱柱结晶or 类White 结构性粉未 ', '2 . Density(g/mL,25/4℃) ', '3 . Relative vapor density(g/mL,Atmosphere =1) ', '4 . Melting point(ºC)234 -236°C ', '5 . Boiling point(ºC,Atmospheric pressure) ', '6 . Boiling point(ºC,52kPa) ', '7 . Refractive index ', '8 . Flash point(ºC) ', '9 . Specific rotation(ºC= 01g /100ml,二甲基亚砜)-24 ', '10 . Spontaneous ignition point or ignition temperature(ºC) ', '11 . Vapor pressure(kPa,25ºC) ', '12 . Saturated vapor pressure(kPa,60ºC) ', '13 . Combustion heat(KJ/mol) ', '14 . Critical temperature(ºC) ', '15 . Critical pressure(KPa) ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion(%,V/V) ', '18 . Lower limit of explosion(%,V/V) ', '19 . Solubility '] |
RTECS: | DJ3094000 |
---|---|
RIDADR: | NONH for all modes of transport |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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