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3368-04-5

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Basic Information
CAS No.: 3368-04-5
Name: 4-METHYLUMBELLIFERYL PHOSPHATE
Article Data: 2
Molecular Structure:
Molecular Structure of 3368-04-5 (4-METHYLUMBELLIFERYL PHOSPHATE)
Formula: C10H9 O6 P
Molecular Weight: 256.152
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
Solubility: Soluble in water
Appearance: white crystalline powder
Hazard Symbols:
Risk Codes: 20/22
Safety:
Hazard Codes Xn
Risk Statements 20/22
Safety Statements 36
RIDADR UN 1760 8/PG 2
WGK Germany 3
PSA: 106.78000
LogP: 1.57290
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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: HarmfulXn
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 .