Phenoxathiin

phenoxathiine · USAF do-17 · Phenoxthin · Phenoxthine · Phenoxthiin · Phenoxathrin · Phenoxathine · PHENOTHIOXIN

Identifikatoren & physikalische Daten

CAS No.	262-20-4
Summenformel	C12H8OS
Durchschnittliche Molmasse	200,26 g/mol
Monoisotopische Masse	200,02958588 g/mol
SMILES	c1ccc2c(c1)Oc1ccccc1S2
InChIKey	GJSGGHOYGKMUPT-UHFFFAOYSA-N
PubChem CID	9217
ChEMBL	CHEMBL82492
EC No.	205-975-8
DTXSID	DTXSID4024937
Lokaler Name	Phenoxathiin

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	34,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	186
SpringerMaterials Properties	Chemical shift
Löslichkeit	less than 1 mg/mL at 70 °F (NTP, 1992)
Siedepunkt	592 °F at 745 mmHg (NTP, 1992)150-152 °C5 mm Hg(lit.)
Schmelzpunkt	138 to 140 °F (NTP, 1992)52-56 °C(lit.)
Physical Description	Yellowish-white solid. (NTP, 1992)
Dichte	1.278
Brechungsindex	1.6090 (estimate)
Flammpunkt	150-152°C/5mm
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
Farbe	Plates from MeOH
BRN	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	262-20-4(CAS DataBase Reference)
EPA chemische Informationen	Phenoxathiin (262-20-4)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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.
Regulatorische Informationen	Chemical: PhenoxathiinPhenoxathiin: 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.
Brandgefahren	Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: Irritation of skin, eyes, mucous membranes.
Reaktive Gruppe	Ethers
Air and Water Reactions	Insoluble in water.
Brandbekämpfung	Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe	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.
Freisetung ohne Brand	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.