りん酸4-メチルウンベリフェリル

4-Methylumbelliferyl phosphate

HCID 65118CAS 3368-04-5
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12
InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N
分子式
C10H9O6P
平均分子量
256.15 g/mol
単同位体質量
256.01367464

名称と識別子

優先名称
4-Methylumbelliferyl phosphate
IUPAC
(4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
現地名
りん酸4-メチルウンベリフェリル
英語名
4-METHYLUMBELLIFERYL PHOSPHATE
分子式
C10H9O6P
分子量
256.15

名称と別名

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
名称をさらに表示
りん酸4-メチルウンベリフェリル4-メチル-2-オキソ-2H-1-ベンゾピラン-7-オールりん酸4-メチルクマリン-7-イル(二水素ホスファート)4-メチルウンベリフェロンホスファート4-メチル-7-ホスホノオキシ-2H-1-ベンゾピラン-2-オンりん酸4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル4-メチルウンベリフェリルホスファートりん酸4-メチルウンベリフェリル (FREE ACID)リン酸 4-メチルウンベリフェリルリン酸 4-メチルウンベリフェリル (4-MUP)液体基質システム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

データベース識別子

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

物性

構造計算による物性

XLogP
0.6
極性表面積
93.1 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
2
重原子数
17

実験および物理化学的性質

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

物理化学的性質

融点
215 · 215-218 °C
沸点
511.4 · 511.4±60.0 °C(Predicted)
比重(密度)
1.583 · 1.583±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · -20°C
溶解性
10 mg/ml; · DMF: 10 mg/ml; DMSO: 20 mg/ml; PBS (pH 7.2): 5 mg/ml
酸解離定数(Pka)
1.65 · 1.65±0.10(Predicted)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 1760 8/PG 2
hs_code
29199000
risk_code
20/22
hazard_code
Xn

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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)

用途と製造

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

応用分野

用途アルカリホスファターゼの測定基質。

上流・下流製品情報

サプライヤー50 社

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]

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