Grundinformationen
- Standard-SMILES
c1ccc2c(c1)Oc1ccccc1S2- InChIKey
GJSGGHOYGKMUPT-UHFFFAOYSA-N- Summenformel
- C12H8OS
- Durchschnittliche Molmasse
- 200,26 g/mol
- Monoisotopische Masse
- 200,02958588
Überblick
Yellowish-white solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Phenoxathiin
- IUPAC
- phenoxathiine
- Lokaler Name
- Phenoxathiin
- Englischer Name
- PHENOXATHIIN
- Summenformel
- C12H8OS
- Molmasse
- 200.26
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
262-20-4- PubChem CID
- 9217
- DTXSID
DTXSID4024937- ChEMBL
CHEMBL82492- UNII
- BJC51V8XW8
- EC Number
- 205-975-8
- Nikkaji
- J5.445C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 34,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 186
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-56 °C(lit.)
- Siedepunkt
- 150 · 150-152 °C5 mm Hg(lit.)
- Dichte
- 1.278 · 1.278
- Brechungsindex
- 1.609 · 1.6090 (estimate)
- Flammpunkt
- 150 · 150-152°C/5mm
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- Plates from MeOH
- BRN
- 143232 · 143232
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
- InChIKey
- GJSGGHOYGKMUPT-UHFFFAOYSA-N
- SMILES
- C1=C2C(OC3=C(S2)C=CC=C3)=CC=C1
- CAS Datenbank
- 262 · 262-20-4(CAS DataBase Reference)
- EPA chemische Informationen
- Phenoxathiin (262-20-4)
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenoxathiin
Phenoxathiin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- SP6825000
- risk_code
- 36/37/38
- Toxizität
- LD50 ipr-mus: 200 mg/kg NTIS** AD277-689
- safety_code
- 24/25
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