Basic information
- Name:
2H-1-Benzopyran-2-one,4-methyl-7-(phosphonooxy)-
- Superlist Name:
- 4-Methylumbelliferyl phosphate
- CAS No.:
3368-04-5
- Molecular Structure:
- Formula:
- C10H9 O6 P
- Molecular Weight:
- 256.15
- 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
- EINECS:
- 222-137-7
- Density:
- 1.583g/cm3
- Melting Point:
- 215-218 °C
- Boiling Point:
- 511.4°Cat760mmHg
- Flash Point:
- 263.1°C
- Hazard Symbols:
- Risk Codes:
- 20/22
- Safety Description:
DetailsHazard Codes Xn Risk Statements 20/22 Safety Statements 36 RIDADR UN 1760 8/PG 2
WGK Germany 3
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Chemistry
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
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
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 .
