Grundinformationen
- Standard-SMILES
O=[As]c1ccccc1- InChIKey
BQVCCPGCDUSGOE-UHFFFAOYSA-N- Summenformel
- C6H5AsO
- Durchschnittliche Molmasse
- 168,02 g/mol
- Monoisotopische Masse
- 167,95563628
Überblick
Phenylarsine oxide is an arsine oxide derived from phenylarsine. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antineoplastic agent and an apoptosis inducer.
Namen und Bezeichner
- Bevorzugter Name
- Phenylarsine Oxide
- IUPAC
- arsorosobenzene
- Lokaler Name
- Phenylarsinoxid
- Englischer Name
- Phenylarsine oxide
- Summenformel
- C6H5AsO
- Molmasse
- 168.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
637-03-6- PubChem CID
- 4778
- DTXSID
DTXSID5042249- ChEMBL
CHEMBL477683- ChEBI
CHEBI:75253- UNII
- 0HUR2WY345
- EC Number
- 211-275-3
- Nikkaji
- J6.913B
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 76,6
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-148 °C
- storage temp.
- Poison room
- Löslichkeit
- 50 mg/mL · DMSO: 50 mg/mL
- Aggregatzustand
- powder
- Farbe
- white to yellow
- Biologische Quelle
- synthetic (organic)
- Wasserlöslichkeit
- 50 · Soluble in dimethyl sulfoxide, chloroform, benzene, ether, ethanol, 50:50 dimethyl sulfoxide:1 M hydrochloric acid (3.0 mg/ml) and toluene. Insoluble in water.
- Merck
- 14 · 14,6949
- BRN
- 2935227 · 2935227
- Henry's Law Constant
- 9 · 9.0×10-1 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008)
- Stabilität
- Stable.
- InChI
- InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
- InChIKey
- BQVCCPGCDUSGOE-UHFFFAOYSA-N
- SMILES
- [As](=O)C1=CC=CC=C1
- CAS Datenbank
- 637 · 637-03-6(CAS DataBase Reference)
- EPA chemische Informationen
- Oxophenylarsine (637-03-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Arsine, oxophenyl-
Restricted substance: Phenylarsine oxide
Hazards Summary
Acute or chronic arsenic poisoning may result from ingestion or inhalation of a sufficient dose; [MSDSonline] Not found in any pesticide products; [NPIRS] Almost nothing is known regarding health effects of organic arsenic compounds in humans. Studies in animals show that some simple organic arsenic compounds are less toxic than inorganic forms. Ingestion of methyl and dimethyl compounds can cause diarrhea and damage to the kidneys. [ATSDR ToxProfiles]
Sicherheit und Schutzausrüstung
Exposure Control and Personal Protection
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3465 6.1/PG 3
- hs_code
- 29310099
- RTECS-Nr.
- CH8100000
- risk_code
- 23/25-50/53
- Toxizität
- LD50 ipr-mus: 1930 mg/kg JPETAB 74,210,42
- hazard_code
- T,N
- safety_code
- 20/21-28-45-60-61
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Verwendung und Herstellung
Anwendungen
VerwendenPhenylarsine oxide is used as a poultry coccidiostat in veterinary medicine. It is also used in a membrane-permeable protein tyrosine phosphatase inhibitor.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An arsine oxide derived from phenylarsine.
Zugehörige Reaktionen
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Verknüpfte Notizen
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