4-Nitrophenyl Acetate (HCID 13243)

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 4-Nitrophenyl Acetate
IUPAC: (4-nitrophenyl) acetate
Lokaler Name: 4-Nitrophenylacetat
Englischer Name: 4-Nitrophenyl acetate
Summenformel: C8H7NO4
Molmasse: 181.15

Namen und Synonyme

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

Weitere Namen anzeigen

4-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 203

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt: 75 · 75-77 °C (lit.)
Siedepunkt: 314.24 °C · 314.24°C (rough estimate)
Dichte: 1.4283 · 1.4283 (rough estimate)
Dampfdruck: 1.28 Pa · 1.28Pa at 20℃
Brechungsindex: 1.5468 · 1.5468 (estimate)
storage temp.: -20 °C · -20°C
Löslichkeit: 0.53 g/l · 0.53g/l
Aggregatzustand: Powder
Farbe: Green
Wasserlöslichkeit: Insoluble in water.
BRN: 515874 · 515874
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
InChIKey: QAUUDNIGJSLPSX-UHFFFAOYSA-N
SMILES: [N+](=O)([O-])c1ccc(cc1)OC(=O)C
LogP: 1.58 at · 1.58 at 25℃ and pH6.83
CAS Datenbank: 830 · 830-03-5(CAS DataBase Reference)
EPA chemische Informationen: 4 · Acetic acid, 4-nitrophenyl ester (830-03-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29153900
RTECS-Nr.: AJ1150000
risk_code: 11-34
Toxizität: LD50 ivn-mus: 180 mg/kg CSLNX* NX#00217
hazard_code: F,C
safety_code: 24/25-45-36/37/39-26-16
Speicherklasse: 5.1B - Oxidizing hazardous materials
Hazard Classifications: Eye Dam. 1Ox. Sol. 3Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 4-nitrophenyl ester: ACTIVE

Anwendungen

Verwenden4-Nitrophenyl Acetate have been used as a substrate to study for the enzymatic activity of Carbonic Anhydrase III isolated from bovine skeletal muscle.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

4-Nitrophenol 2,3,5,6-Tetrafluorphenol acetate 6-Nitro-2-benzopyron P-nitrophenyl butyrate (2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane 4-nitrophenyl 4-methoxybenzoate

Anbieter50 Anbieter

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]

Ergänzende Hinweise

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