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Cas Database |
| Name |
4-Methylumbelliferyl phosphate |
EINECS | 222-137-7 | ||||||||||
| CAS No. | 3368-04-5 | Density | 1.583g/cm3 | ||||||||||
| PSA | 106.78000 | LogP | 1.57290 | ||||||||||
| Solubility | Soluble in water | Melting Point |
215-218 °C |
||||||||||
| Formula | C10H9 O6 P | Boiling Point | 511.4°Cat760mmHg | ||||||||||
| Molecular Weight | 256.152 | Flash Point | 263.1°C | ||||||||||
| Transport Information | N/A | Appearance | white crystalline powder | ||||||||||
| Safety |
|
Risk Codes | 20/22 | ||||||||||
| Molecular Structure |
|
Hazard Symbols |
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| Synonyms |
Coumarin,7-hydroxy-4-methyl-, dihydrogen phosphate (7CI,8CI); 4-Methylcoumarin-7-yldihydrogen phosphate; 4-Methylumbelliferone phosphate; 4-Methylumbelliferyldihydrogen phosphate; 4-Methylumbelliferyl orthophosphate; 4-Methylumbelliferylphosphate |
Article Data | 2 |
4-Methylumbelliferyl phosphate Chemical Properties
Molecule structure of 4-Methylumbelliferyl phosphate (CAS NO.3368-04-5) :
IUPAC Name: (4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
Molecular Weight: 256.148621 g/mol
Molecular Formula: C10H9O6P
Density: 1.583 g/cm3
Melting Point: 215-218 °C
Boiling Point: 511.4 °C at 760 mmHg
Flash Point: 263.1 °C
Appreance: white crystalline powder
Storage temp.: 2-8 °C
Molar Volume: 161.7 cm3
Polarizability: 22.38*10-24 cm3
Surface Tension: 68.8 dyne/cm
Enthalpy of Vaporization: 82.37 kJ/mol
Vapour Pressure: 2.79E-11 mmHg at 25 °C
XLogP3: 0.6
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Exact Mass: 256.013675
MonoIsotopic Mass: 256.013675
Topological Polar Surface Area: 93.1
Heavy Atom Count: 17
Complexity: 398
Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O
InChI: InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey: BCHIXGBGRHLSBE-UHFFFAOYSA-N
EINECS of 4-Methylumbelliferyl phosphate (CAS NO.3368-04-5) : 222-137-7
4-Methylumbelliferyl phosphate Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/22
R20/22: Harmful by inhalation and if swallowed
Safety Statements: 36
S36: Wear suitable protective clothing
RIDADR: UN 1760 8/PG 2
WGK Germany: 3
4-Methylumbelliferyl phosphate Specification
4-Methylumbelliferyl phosphate (CAS NO.3368-04-5) is also called (4-Mup) liquid substrate system ; 4-Methylumbelliferone phosphate ; 4-Methylumbelliferyl-phosphoric acid ; 4-Methylumbelliferyl phosphate liquid substrate system ; 4-Methyl-7-(phosphonooxy), 2H 1-benzopyran-2-one ; 4-Methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate .
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