Grundinformationen
- Standard-SMILES
Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12- InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N- Summenformel
- C10H9O6P
- Durchschnittliche Molmasse
- 256,15 g/mol
- Monoisotopische Masse
- 256,01367464
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylumbelliferyl phosphate
- IUPAC
- (4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
- Lokaler Name
- 4-Methyl-2-oxo-2H-1-benzopyran-7-ylphosphonsure
- Englischer Name
- 4-METHYLUMBELLIFERYL PHOSPHATE
- Summenformel
- C10H9O6P
- Molmasse
- 256.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3368-04-5- PubChem CID
- 65118
- DTXSID
DTXSID8062995- ChEMBL
CHEMBL255305- EC Number
- 222-137-7
- Nikkaji
- J205.449C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 93,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 398
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 · 215-218 °C
- Siedepunkt
- 511.4 · 511.4±60.0 °C(Predicted)
- Dichte
- 1.583 · 1.583±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 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)
- Aggregatzustand
- liquid
- Farbe
- White to Off-white
- PH
- 5 g/l, · pH (5g/l, 25℃) : 1.5~2.3
- Wasserlöslichkeit
- Soluble in water
- BRN
- 1687229 · 1687229
- 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
- SMILES
- C1(=O)OC2=CC(OP(O)(O)=O)=CC=C2C(C)=C1
- CAS Datenbank
- 3368 · 3368-04-5(CAS DataBase Reference)
- EPA chemische Informationen
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)- (3368-04-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1760 8/PG 2
- hs_code
- 29199000
- risk_code
- 20/22
- hazard_code
- Xn
- safety_code
- 36-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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)
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