4-Methylumbelliferyl phosphate

HCID 65118
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3368-04-5
Standard SMILES
Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12
InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N
Molecular formula
C10H9O6P
Average molar mass
256.15 g/mol
Monoisotopic mass
256.01367464

Names & identifiers

Preferred name
4-Methylumbelliferyl phosphate
IUPAC
(4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
English name
4-METHYLUMBELLIFERYL PHOSPHATE
Molecular formula
C10H9O6P
Molecular weight
256.15

Names & synonyms

4-Methylumbelliferyl phosphate3368-04-5DTXSID80629952H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-RefChem:525747DTXCID8038728222-137-74-Methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate(4-methyl-2-oxochromen-7-yl) dihydrogen phosphatePhosphoric Acid 4-Methylumbelliferyl Ester4-MUPMFCD00016969
Show more names
MUP4MU-PhosMethylumbelliferylphosphate,4-4-METHYLUMBELLIFERONE PHOSPHATE(4-MUP) LIQUID SUBSTRATE SYSTEM4-MethylumbelliferylPhosphate>4-MethylumbelliferylPhosphateA.R.4-Methylumbelliferyl phosphate ,99%
4-MUP;MUP4-Methylumbelliferyl phosphate, free acid4-Methylumbelliferyl phosphate (free acid)EM09307C10H9O6P4-METHYLUMBELLIFERYLPHOSPHATESCHEMBL140039CHEMBL255305

Database identifiers

CAS
3368-04-5
PubChem CID
65118
DTXSID
DTXSID8062995
ChEMBL
CHEMBL255305
EC Number
222-137-7
Nikkaji
J205.449C

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
93.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organophosphates, Other
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
215 · 215-218 °C
Boiling point
511.4 · 511.4±60.0 °C(Predicted)
Density
1.583 · 1.583±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
solubility
10 mg/ml; · DMF: 10 mg/ml; DMSO: 20 mg/ml; PBS (pH 7.2): 5 mg/ml
pka
1.65 · 1.65±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; This substance is a cholinoreceptor antagonist at the neuromuscular junction. This substance posses curare-like properties and should be handled with extreme care. [Sigma-Aldrich MSDS] See Coumaphos
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 1760 8/PG 2
hs_code
29199000
risk_code
20/22
Signal word
Warning

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

General Manufacturing Information2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-: INACTIVE

Applications

Uses4-Methylumbelliferyl phosphate has been used as a substrate for alkaline phosphatase in the peptide-binding assay. It has also been used as a fluorogenic substrate in enzyme-linked immunosorbent assay (ELISA).

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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