Iodoacetic anhydride

HCID 2733254CAS 54907-61-8

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Grundinformationen

Standard-SMILES: O=C(CI)OC(=O)CI
InChIKey: RBNSZWOCWHGHMR-UHFFFAOYSA-N
Summenformel: C4H4I2O3
Durchschnittliche Molmasse: 353,88 g/mol
Monoisotopische Masse: 353,82498999

Namen und Bezeichner

Bevorzugter Name: Iodoacetic anhydride
IUPAC: (2-iodoacetyl) 2-iodoacetate
Englischer Name: Iodoacetic anhydride
Summenformel: C4H4I2O3
Molmasse: 353.88

Namen und Synonyme

Iodoacetic anhydride54907-61-8DTXSID10970240RefChem:148502DTXCID401397775625-989-1(2-iodoacetyl) 2-iodoacetateMFCD00001080Acetic acid, iodo-, anhydrideiodoacetic acid anhydrideC4H4I2O3SCHEMBL56558

Weitere Namen anzeigen

Iodoacetyl anhydride2-iodoacetic anhydrideiodoaceticanhydride90+%Di(iodoacetic)anhydrideIodoacetic anhydride,97%Bis(iodoacetic acid)anhydrideAcetic acid, 2-iodo-, 1,1'-anhydrideIODOACETIC ANHYDRIDE ISO 9001：2015 REACH

orb2695297RBNSZWOCWHGHMR-UHFFFAOYSA-NAKOS025312390BP-30089CS-0770369Iodoacetic anhydride, technical, >=90% (T)I80948T201254

Datenbank-Bezeichner

CAS: 54907-61-8
PubChem CID: 2733254
DTXSID: DTXSID10970240
EC Number: 625-989-1
Nikkaji: J364.690D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 109

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Acid Anhydrides, Other

Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-49 °C (lit.)
Siedepunkt: 276.9 · 276.9±25.0 °C(Predicted)
Dichte: 2.664 · 2.664±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 10 %, · chloroform: soluble10%, clear to slightly hazy, yellow (pink or tan)
Aggregatzustand: Crystalline Powder
Farbe: Yellow
BRN: 1812140 · 1812140
InChI: 1S/C4H4I2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChIKey: RBNSZWOCWHGHMR-UHFFFAOYSA-N
SMILES: ICC(=O)OC(=O)CI

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; [Sigma-Aldrich MSDS] See Acetic anhydride.

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 8-10-21
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29159000
risk_code: 25-35
hazard_code: T,C
safety_code: 22-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1A

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReagent used as linker for development of reagents used for differential protein quantitation via ion scanningReactant used for:Sythesis of N-iodoacetyl glycosylamine derivatives and converting amino precursors to IA derivativesLinking lysine residues to N-terminal α-amino groups of peptidesCapping amines and yielding a thiol reactive iodo-derivativeIodoacetylation