기본 정보
- 표준 SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1- InChIKey
XZKIHKMTEMTJQX-UHFFFAOYSA-N- 분자식
- C6H6NO6P
- 평균 분자량
- 219.09 g/mol
- 단동위원소 질량
- 218.99327391
이름 및 식별자
- 우선 이름
- 4-Nitrophenyl Phosphate
- IUPAC
- (4-nitrophenyl) dihydrogen phosphate
- 영어명
- p-Nitrophenyl phosphate di(Tris) salt
- 분자식
- C6H6NO6P
- 분자량
- 219.09
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 250
물리화학적 성질
- 녹는점
- 153 °C · 153 °C
- 끓는 점
- 457.8 · 457.8±47.0 °C(Predicted)
- 밀도
- 1.712 · 1.712±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 0.1 g/mL, 투명
- 산도 계수 (pKa)
- 0.86 · 0.86±0.30(Predicted)
- 색상
- 백색 내지 연황색의 결정성 분말
- EPA
- Phosphoric acid, mono(4-nitrophenyl) ester (330-13-2)
안전 및 규제
GHS 분류
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.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- F 고인화성물질
- 8-10-21
화학 및 산업
약리 정보
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)
용도 및 제조
응용 분야
용도4-Nitrophenyl phosphate undergoes hydrolysis readily, and is used for measuring alkaline phosphatase activity in human serum.
상·하류 제품 정보
하류 제품
공급사28 곳
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