基本情報
- 標準SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1- InChIKey
XZKIHKMTEMTJQX-UHFFFAOYSA-N- 分子式
- C6H6NO6P
- 平均分子量
- 219.09 g/mol
- 単同位体質量
- 218.99327391
名称と識別子
- 優先名称
- 4-Nitrophenyl Phosphate
- IUPAC
- (4-nitrophenyl) dihydrogen phosphate
- 現地名
- p-ニトロフェノールりん酸
- 英語名
- p-Nitrophenyl phosphate di(Tris) salt
- 分子式
- C6H6NO6P
- 分子量
- 219.09
名称と別名
名称をさらに表示
データベース識別子
- CAS
12778-12-0、330-13-2- PubChem CID
- 378
- DTXSID
DTXSID60861876- ChEMBL
CHEMBL24231- ChEBI
CHEBI:17440- UNII
- 59NF9TE3BA
- EC Number
- 206-353-9
- Nikkaji
- J1.008.477F、J1.008.478D、J1.222.960G、J32.922C
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 113 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
- 14
- 形式電荷
- 0
- 複雑度
- 250
物理化学的性質
- 融点
- 153 °C · 153 °C
- 沸点
- 457.8 · 457.8±47.0 °C(Predicted)
- 比重(密度)
- 1.712 · 1.712±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 0.1 g/mL、透明
- 酸解離定数(Pka)
- 0.86 · 0.86±0.30(Predicted)
- 色
- 白色~淡黄色の結晶性粉末
- EPAの化学物質情報
- Phosphoric acid, mono(4-nitrophenyl) ester (330-13-2)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
安全データ
- F
- 8-10-21
- wgk
- 3
- tsca
- TSCA listed
化学と産業
薬理情報
MeSH Pharmacological Classification
Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).
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
応用分野
使用4-Nitrophenyl phosphate undergoes hydrolysis readily, and is used for measuring alkaline phosphatase activity in human serum.
上流・下流製品情報
下流製品
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