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4-Nitrophenyl Phosphate

HCID 378
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
12778-12-0
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

개요

4-nitrophenyl phosphate is an aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. It has a role as a mouse metabolite. It is functionally related to a 4-nitrophenol. It is a conjugate acid of a 4-nitrophenyl phosphate(2-).

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

4-nitrophenyl phosphate330-13-24-Nitrophenyl dihydrogen phosphatep-nitrophenyl phosphateNitrophenylphosphatePhosphoric acid, mono(4-nitrophenyl) esterp-Nitrophenyl dihydrogen phosphatep-Nitrophenol phosphate(4-nitrophenyl) dihydrogen phosphate(4-nitrophenoxy)phosphonic acidPhenol, p-nitro-, dihydrogen phosphate4-nitrophenylphosphate
이름 더 보기
pNNPp NNPp-NNPCPD-194PNPP-TRISNO2-phen-PPNPP, 2TRISnitrophenol-PP-NPP, DITRIS SALT
Phosphoric acid, mono(p-nitrophenyl) ester59NF9TE3BADTXSID60861876NSC-40408612778-12-0CHEBI:17440DTXSID00925981RefChem:526001

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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organophosphates, Other
DrugsPharmaceuticals -> Listed in ZINC15

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

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

유해성 정보

Hazards SummarySee Paraoxon. See o-Nitroanisole.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk
3
tsca
TSCA listed
F 고인화성물질
8-10-21

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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

General Manufacturing InformationPhosphoric acid, mono(4-nitrophenyl) ester: ACTIVE

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

P-니트로페닐 인산, 디나트륨 염, 헥사수화물1-니트로-4-설포옥시-벤젠

관련 반응

2건
반응 기록 만들기
HRID 1442885 반응식
HRID 1442885반응물로uspto-grants-2010_02
HRID 1720847 반응식
HRID 1720847반응물로uspto-grants-1996_04

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