Bis(p-nitrophenyl) phosphate

HCID 255CAS 645-15-8

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기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey: MHSVUSZEHNVFKW-UHFFFAOYSA-N
분자식: C12H9N2O8P
평균 분자량: 340.18 g/mol
단동위원소 질량: 340.00965188

개요

Bis-4-nitrophenyl phosphate is an aryl phosphate. It is functionally related to a 4-nitrophenol.

이름 및 식별자

우선 이름: Bis(p-nitrophenyl) phosphate
IUPAC: bis(4-nitrophenyl) hydrogen phosphate
영어명: Bis(4-nitrophenyl) phosphate
분자식: C12H9N2O8P
분자량: 340.18

이름 및 동의어

645-15-8Bis(4-nitrophenyl)phosphatebis(p-nitrophenyl)phosphatebis(p-nitrophenyl) phosphatedi-p-nitrophenyl phosphatep-Nitrophenyl monohydrogen phosphatePhosphoric acid, bis(p-nitrophenyl) esterPhenol, p-nitro-, hydrogen phosphate1MF77LEI63NSC-59824DTXSID20870742Bis[4-nitrophenyl]phosphate

이름 더 보기

BNPPdi-p-nitrophenylphosphateDi-4-nitrophenyl phosphatep-nitro-phenohydrogenphosphateDI-P-NITROPHENYLPHOSPHORIC ACIDBis(4-nitrophenyl)phosphate 98%BIS(PARA-NITRO-PHENYL)PHOSPHATE

BNPP-4BpNPPRefChem:120158bis(para-nitrophenol)phosphateDTXCID40203078211-434-7bis(4-nitrophenyl) phosphateBis(4-nitrophenyl) hydrogen phosphate

데이터베이스 식별자

CAS: 645-15-8
PubChem CID: 255
DTXSID: DTXSID20870742
ChEMBL: CHEMBL1231178
ChEBI: CHEBI:3122
UNII: 1MF77LEI63
EC Number: 211-434-7
Nikkaji: J205.923A、J694.749B

물성

구조 계산 물성

XLogP: 1
극성 표면적: 147 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 434

물리화학적 성질

녹는점: 172 · 172-175 °C(lit.)
끓는 점: 545.7 · 545.7±60.0 °C(Predicted)
밀도: 1.614 · 1.614±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO (Slightly), Isopropanol (Slightly), Methanol
산도 계수 (pKa): 1.04 · 1.04±0.50(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 거의 투명함
InChI: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
InChIKey: MHSVUSZEHNVFKW-UHFFFAOYSA-N
SMILES: P(O)(OC1=CC=C([N+]([O-])=O)C=C1)(OC1=CC=C([N+]([O-])=O)C=C1)=O
NIST: Phosphoric acid, bis(p-nitrophenyl) ester(645-15-8)
EPA: Bis(p-nitrophenyl) phosphate (645-15-8)

화학적 성질

Bis(4-nitrophenyl) phosphate is Light Brown Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (95.2%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (95.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TB8260000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29199000
risk_code: 25
hazard_code: T
safety_code: 45
위험 등급: 6.1
Hazard Classifications: Acute Tox. 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

용도 및 제조

General Manufacturing InformationPhosphoric acid, bis(4-nitrophenyl) ester: INACTIVE

응용 분야 · 1건

용도Bis(4-nitrophenyl) phosphate(BNPP) has been used as substrate to determine the enzyme activity of root phosphodiesterases of wetland plants. BNPP has been used to study the mechanism of cleavage of BNPP using oxamido-bridged dinuclear copper(II) complexes as catalysts.

상·하류 제품 정보

상류 원료

포스포러스옥시클로라이드 4-니트로페놀소다염(2수화물)1.4-다이옥세인 수산화리튬1수화물 디에틸에테르 오산화 인

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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