Phenoxathiin

HCID 9217CAS 262-20-4

Basic information

Standard SMILES
c1ccc2c(c1)Oc1ccccc1S2
InChIKey
GJSGGHOYGKMUPT-UHFFFAOYSA-N
Molecular formula
C12H8OS
Average molar mass
200.26 g/mol
Monoisotopic mass
200.02958588

Overview

Yellowish-white solid. (NTP, 1992)

Names & identifiers

Preferred name
Phenoxathiin
IUPAC
phenoxathiine
English name
PHENOXATHIIN
Molecular formula
C12H8OS
Molecular weight
200.26

Names & synonyms

Phenoxathiin262-20-4PHENOTHIOXINDibenzothioxinPhenoxthinDibenzooxathianePhenoxathianePhenoxathrin1,4-DibenzothioxinePhenoxathineUSAF DO-17DTXSID4024937
Show more names
PhenoxthinePhenoxthiinPhenothioxine
BJC51V8XW8NSC-464DTXCID904937RefChem:861496205-975-8PhenoxathiineMFCD00046933C12H8OS

Database identifiers

CAS
262-20-4
PubChem CID
9217
DTXSID
DTXSID4024937
ChEMBL
CHEMBL82492
UNII
BJC51V8XW8
EC Number
205-975-8
Nikkaji
J5.445C

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
34.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Boiling Point592 °F at 745 mmHg (NTP, 1992)
Melting Point138 to 140 °F (NTP, 1992)
Physical DescriptionYellowish-white solid. (NTP, 1992)

Physicochemical properties

Melting point
52 · 52-56 °C(lit.)
Boiling point
150 · 150-152 °C5 mm Hg(lit.)
Density
1.278 · 1.278
refractive index
1.609 · 1.6090 (estimate)
Flash point
150 · 150-152°C/5mm
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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.

Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Irritation of skin, eyes, mucous membranes.
Reactive GroupEthers
Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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) · 1 item

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)

Safety data

F
10-23
wgk
3
tsca
TSCA listed
rtecs
SP6825000
hs_code
29349990
Toxicity
LD50 ipr-mus: 200 mg/kg NTIS** AD277-689

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenoxathiin: INACTIVE

Applications

General DescriptionYellowish-white solid.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

Related reactions

9 records

Linked notes

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