기본 정보
- 표준 SMILES
O=P(O)(O)Oc1cccc2ccccc12- InChIKey
YNXICDMQCQPQEW-UHFFFAOYSA-N- 분자식
- C10H9O4P
- 평균 분자량
- 224.15 g/mol
- 단동위원소 질량
- 224.0238454
개요
1-naphthyl dihydrogen phosphate is an aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 1-naphthol. It is a substrate for phosphatase.
이름 및 식별자
- 우선 이름
- Naphthyl phosphate
- IUPAC
- naphthalen-1-yl dihydrogen phosphate
- 영어명
- 1-Naphthyl phosphate
- 분자식
- C10H9O4P
- 분자량
- 224.15
이름 및 동의어
1-Naphthyl phosphate33881-88-8naphthyl phosphatealpha-naphthylphosphateRefChem:832045Naphthalenol, dihydrogen phosphate1136-89-6naphthalen-1-yl dihydrogen phosphate1-Naphthyl dihydrogen phosphatealpha-Naphthyl phosphate1-Naphthalenol, 1-(dihydrogen phosphate)naphthol phosphate
이름 더 보기
AURORA KA-1621Naphthyl phosphatA-NAPHTHYL PHOSPHATEalpha-Naphthol phosphate1-Naphthyl phosphate 99%1-NAPHTHYL PHOSPHATE 99+%naphthyl dihydrogen phosphateALPHA-NAPHTHYL ACID PHOSPHATE
(naphthalen-1-yloxy)phosphonic acidEINECS 214-502-4MFCD00003921CHEMBL24745C10H9O4P1-NAFOSFSCHEMBL604721-Naphthyl phosphate, 99%
데이터베이스 식별자
- CAS
1136-89-6- PubChem CID
- 2115
- DTXSID
DTXSID10862858- ChEMBL
CHEMBL24745- ChEBI
CHEBI:75442- Nikkaji
- J203.386K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 262
물리화학적 성질
- 녹는점
- 157 · 157-159 °C(lit.)
- 끓는 점
- 451 · 451.0±28.0 °C(Predicted)
- 밀도
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 0.1 g/mL, 약간 탁함, 무색
- 산도 계수 (pKa)
- 1.25 · 1.25±0.30(Predicted)
- 물리적 상태
- 고체
- InChI
- 1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
- InChIKey
- YNXICDMQCQPQEW-UHFFFAOYSA-N
- SMILES
- OP(O)(=O)Oc1cccc2ccccc12
안전 및 규제
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1-Naphthyl Phosphate functions as a substrate in the optimized bioassay for mucin 1 detection in serum samples, and in the analysis and detection of lysozymes in real samples. It also functions as a substrate in the development of automated flow-based electrochemical aptasensor for online detection of ochratoxin A.
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추가 설명
정의ChEBI: An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 1-naphthol. It is a substrate for phosphatase.
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