Triacetoxyperiodinane

HCID 159087CAS 87413-09-0

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Grundinformationen

Standard-SMILES: CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21
InChIKey: NKLCNNUWBJBICK-UHFFFAOYSA-N
Summenformel: C13H13IO8
Durchschnittliche Molmasse: 424,14 g/mol
Monoisotopische Masse: 423,96551538

Namen und Bezeichner

Bevorzugter Name: Triacetoxyperiodinane
IUPAC: (1,1-diacetyloxy-3-oxo-1λ5,2-benziodoxol-1-yl) acetate
Englischer Name: Dess-Martin periodinane
Summenformel: C13H13IO8
Molmasse: 424.14

Namen und Synonyme

Dess-Martin periodinane87413-09-0TRIACETOXYPERIODINANEdess-martin reagent1,1,1-tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3(1h)-oneMARTIN'S REAGENTREAGENTS, MARTIN'SDTXSID302363351,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-DESS-MARTIN PERIODINANE [MI]ACETIC ACID 1,1',1''-(3-OXO-1.LAMBDA.5-1,2-BENZIODOXOL-1(3H)-YLIDYNE) ESTERACETIC ACID, 1,1',1''-(3-OXO-1.LAMBDA.5-1,2-BENZIODOXOL-1(3H)-YLIDYNE) ESTER

Weitere Namen anzeigen

DESS-MARTINDess-Martin periodaneDESS-MARTINEPERIODINANE1,1,1-TRIACETOXY-1,1-DIHYDRO-1,2-BENZIODOXOL-3(1H)-ONEdess-martin periodinate3-oxo-1l5-benzo[d][1,2]iodaoxole-1,1,1(3H)-triyl triacetateDess-Martin periodinane,D M P, TAPI

RefChem:899010DTXCID30158826ACETIC ACID 1,1',1''-(3-OXO-1LAMBDA5-1,2-BENZIODOXOL-1(3H)-YLIDYNE) ESTERACETIC ACID, 1,1',1''-(3-OXO-1LAMBDA5-1,2-BENZIODOXOL-1(3H)-YLIDYNE) ESTER672-328-8(1,1,1-Triacetoxy)-1,1-dihydro-1,2-benziodoxol-3(1H)-oneDess-Martinperiodinanedess martin periodinane

Datenbank-Bezeichner

CAS: 87413-09-0
PubChem CID: 159087
DTXSID: DTXSID30236335
ChEMBL: CHEMBL116656
UNII: 336B74JK56
EC Number: 672-328-8
Nikkaji: J350.467K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 105 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 6
Schwere Atome: 22
Formalladung: 0
Komplexität: 499

Physikochemische Eigenschaften

Schmelzpunkt: 130 · 130-133 °C (lit.)
Siedepunkt: 40 °C · 40 °C
Dichte: 1.369 g/mL · 1.369 g/mL at 25 °C
Flammpunkt: 221 °F · >221 °F
storage temp.: -20 °C · -20°C
Löslichkeit: Soluble in chloroform, acetone, acetonitrile and methylene chloride. Slightly soluble in ether and hexane.
Aggregatzustand: Liquid
Farbe: Colorless to light yellow
Merck: 14 · 14,2933
BRN: 4548207 · 4548207
Stabilität: Light Sensitive
InChI: InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3
InChIKey: NKLCNNUWBJBICK-UHFFFAOYSA-N
SMILES: I1(OC(=O)C)(OC(=O)C)(OC(=O)C)OC(=O)C2C=CC=CC1=2
CAS Datenbank: 87413 · 87413-09-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H272 (15.7%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesOx. Sol. 2 (15.7%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 1593 6.1/PG 3
hs_code: 29349990
risk_code: 22-36/37/38-40-8-20/21/22-44
hazard_code: Xn,O,Xi
hazard_note: Harmful/Light sensitive
safety_code: 26-36-36/37-24/25-23-17-45-36/37/39
hazard_class: 5.1
packing_group: Ⅲ
Speicherklasse: 5.2 - Organic peroxides and self-reacting hazardous materials
Hazard Classifications: Eye Irrit. 2Self-react. CSkin Irrit. 2STOT SE 3