Grundinformationen
- Standard-SMILES
O=C(O)c1ccccc1Oc1ccccc1- InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N- Summenformel
- C13H10O3
- Durchschnittliche Molmasse
- 214,22 g/mol
- Monoisotopische Masse
- 214,06299418
Überblick
2-phenoxybenzoic acid is a phenoxybenzoic acid in which the phenoxy group is ortho to the carboxy group.
Namen und Bezeichner
- Bevorzugter Name
- 2-Phenoxybenzoic acid
- IUPAC
- 2-phenoxybenzoic acid
- Lokaler Name
- 2-Phenoxybenzoesure
- Englischer Name
- 2-Phenoxybenzoic acid
- Summenformel
- C13H10O3
- Molmasse
- 214.22
Namen und Synonyme
2-Phenoxybenzoic acid2243-42-7o-Phenoxybenzoic acidBenzoic acid, 2-phenoxy-Benzoic acid, o-phenoxy-ortho-Phenoxybenzoic acid2-Carboxydiphenyl ethero-phenoxybenzoic acio-carboxydiphenyl ether2-carboxybiphenyl ether2-PhOC6H4COOH902C93KXK0
Weitere Namen anzeigen
2-phenoxybenzoateRARECHEM AL BE 15072-phenoxy-benzoicaciO-phenylsalicylic acidLABOTEST-BB LT004553772-CARBOXY-DIPHENYL ETHER
2-PhOC6H4CO2HEINECS 218-811-5NSC 39656CHEBI:72636diphenyl ether 2-carboxylic acidAI3-03453NSC-396562-(phenyloxy)benzoic acid
Datenbank-Bezeichner
- CAS
2243-42-7、36349-67-4- PubChem CID
- 75237
- DTXSID
DTXSID8062286- ChEMBL
CHEMBL2219842- ChEBI
CHEBI:72636- UNII
- 902C93KXK0
- EC Number
- 218-811-5、252-989-5
- Nikkaji
- J32.070F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 233
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
LogP3.11
Physikochemische Eigenschaften
- Schmelzpunkt
- 110 · 110-112 °C (lit.)
- Siedepunkt
- 355 °C · 355 °C
- Dichte
- 1.1553 · 1.1553
- Brechungsindex
- 1.509 · 1.5090 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.53 · 3.53(at 25℃)
- Farbe
- Pale Purple
- BRN
- 978452 · 978452
- InChI
- 1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
- InChIKey
- PKRSYEPBQPFNRB-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccccc1Oc2ccccc2
- CAS Datenbank
- 2243 · 2243-42-7(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Benzoic acid, 2-phenoxy- (2243-42-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- RTECS-Nr.
- DH6293560
- risk_code
- 36/37/38
- Toxizität
- TDLo ivn-rat: 10,711 mg/kg BIPBU* 25,686,2002
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 2-phenoxy-: ACTIVE
Anwendungen
Verwenden2-Phenoxybenzoic acid was used as an internal standard in the quantification of pyrethroid metabolites.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A phenoxybenzoic acid in which the phenoxy group is ortho to the carboxy group.
Zugehörige Reaktionen
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