4-나이트로페닐 아세트산

4-Nitrophenyl Acetate

HCID 13243CAS 830-03-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
QAUUDNIGJSLPSX-UHFFFAOYSA-N
분자식
C8H7NO4
평균 분자량
181.15 g/mol
단동위원소 질량
181.0375077

개요

4-nitrophenyl acetate is a phenyl acetate resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid. It is a member of phenyl acetates and a C-nitro compound. It is functionally related to a 4-nitrophenol.

이름 및 식별자

우선 이름
4-Nitrophenyl Acetate
IUPAC
(4-nitrophenyl) acetate
현지명
4-나이트로페닐 아세트산
영어명
4-Nitrophenyl acetate
분자식
C8H7NO4
분자량
181.15

이름 및 동의어

4-Nitrophenyl acetate830-03-5p-Acetoxynitrobenzenep-Nitrophenol acetateP-NITROPHENYL ACETATEAcetic acid, 4-nitrophenyl esterAcetic acid p-nitrophenyl esterAcetic acid, p-nitrophenyl esterpara-nitrophenyl acetateNSC-2633I902J0QH9SDTXSID2061191
이름 더 보기
4-나이트로페닐아세트산4-나이트로페닐아세트산4-니트로페닐아세테이트4-Nitropheyl acetateNSC 2633p-nitrophenyl4-Nitrophenylacetatp-Acetoxynitrobenzenp-nitrophenolacetateLecithin Impurity 14p-Nitrobenzeneacetate
CHEBI:82635RefChem:100096DTXCID0048341212-593-5(4-nitrophenyl) acetateAcetic acid 4-nitrophenyl esterp-Nitrophenyl acetate (VAN)MFCD00007326

데이터베이스 식별자

CAS
830-03-5
PubChem CID
13243
DTXSID
DTXSID2061191
ChEMBL
CHEMBL40988
ChEBI
CHEBI:82635
UNII
I902J0QH9S
EC Number
212-593-5
Nikkaji
J45.688H

물성

구조 계산 물성

XLogP
1.5
극성 표면적
72.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.5
Vapor Pressure0.00186 [mmHg]
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
75 · 75-77 °C (lit.)
끓는 점
314.24 °C · 314.24°C (rough estimate)
밀도
1.4283 · 1.4283 (rough estimate)
증기압
1.28 Pa · 1.28Pa at 20℃
굴절률
1.5468 · 1.5468 (estimate)
저장 조건
-20 °C · -20°C

화학적 성질

off-white or beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Acetic acid, 4-nitrophenyl ester

Status: Active Update: 12-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17205

Acetic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Phenyl acetate. See Nitrobenzene.
Hazard Classes and CategoriesOx. Sol. 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AJ1150000
독성
LD50 ivn-mus: 180 mg/kg CSLNX* NX#00217
HS 번호
29153900
risk_code
11-34

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 4-nitrophenyl ester: ACTIVE

응용 분야

용도4-Nitrophenyl Acetate have been used as a substrate to study for the enzymatic activity of Carbonic Anhydrase III isolated from bovine skeletal muscle.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

추가 설명

정의ChEBI: An acetate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid.

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