Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1ccc(O)c(Cl)c1- InChIKey
BOFRXDMCQRTGII-UHFFFAOYSA-N- Summenformel
- C6H4ClNO3
- Durchschnittliche Molmasse
- 173,55 g/mol
- Monoisotopische Masse
- 172,98797067
Überblick
2-chloro-4-nitrophenol is a nitrophenol.
Namen und Bezeichner
- Bevorzugter Name
- Nitrofungin
- IUPAC
- 2-chloro-4-nitrophenol
- Lokaler Name
- 2-Chlor-4-nitrophenol
- Englischer Name
- 2-Chloro-4-nitrophenol
- Summenformel
- C6H4ClNO3
- Molmasse
- 173.55
Namen und Synonyme
2-CHLORO-4-NITROPHENOL619-08-9NitrofunginPhenol, 2-chloro-4-nitro-NitrofurginY2V03M9UL8NSC-1316DTXSID0060694RefChem:86263DTXCID7043166210-578-8MFCD00043910
Weitere Namen anzeigen
2-Chloro-4-nit2-Chloro-4-nitrooro-4-nitrophenoL2-Chloro-4-nitrophen2-Chlor-4-nitrophenol2-Chloro-p-nitrophenol2-chloro-4-nitro-phenoP-NITRO-O-CHLOROPHENOL
2-Chloro-4-nitro-phenol2-Chloranyl-4-Nitro-PhenolPhenol, chloro-4-nitro-2-Chloro-4-Nitro PhenolNSC 1316EINECS 210-578-8BRN 2046372UNII-Y2V03M9UL8
Datenbank-Bezeichner
- CAS
619-08-9- PubChem CID
- 12074
- DTXSID
DTXSID0060694- ChEMBL
CHEMBL150824- ChEBI
CHEBI:208164- UNII
- Y2V03M9UL8
- EC Number
- 210-578-8
- Nikkaji
- J14.161E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 66,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 158
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitrophenols
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Melting Point111 °C
Vapor Pressure0.000296 [mmHg]
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 · 105-106 °C (lit.)
- Siedepunkt
- 290.6 · 290.6±25.0 °C(Predicted)
- Dichte
- 1.4914 · 1.4914 (rough estimate)
- Dampfdruck
- 0.133 Pa · 0.133Pa at 25℃
- Brechungsindex
- 1.581 · 1.5810 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- Crystalline Powder or Crystals
- pka
- 5.43 · 5.43±0.22(Predicted)
- Farbe
- White to beige
- Wasserlöslichkeit
- slightly soluble
- BRN
- 2046372 · 2046372
- InChI
- 1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
- InChIKey
- BOFRXDMCQRTGII-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1Cl)[N+]([O-])=O
- LogP
- 2.55 · 2.55
- CAS Datenbank
- 619 · 619-08-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Chloro-4-nitrophenol(619-08-9)
- EPA chemische Informationen
- 2 · Phenol, 2-chloro-4-nitro- (619-08-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 19-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21196
Phenol, 2-chloro-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and dermatitis in dermal lethal-dose studies of rabbits; Causes somnolence and diarrhea in oral lethal-dose studies of rats; [RTECS] A moderate skin and eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See 2-Fluoro-4-nitrophenol and 4-Nitrophenol.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
2.7 [mg/m3]
30 [mg/m3]
180 [mg/m3]
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29089000
- RTECS-Nr.
- SK5075000
- risk_code
- 20/21/22-36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 2-chloro-4-nitro-: ACTIVE
Anwendungen
Verwenden2-Chloro-4-nitrophenol, is frequently used as building blocks for dyes, plastics, explosives. It acts as a catalytic agent, petrochemical additive and used in organic synthesis. It can react with sulfuric acid dimethyl ester to produce 2-chloro-4-nitro-anisole. This reaction will need reagents K2CO3 and xylene.
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