Trichloressigsureanhydrid

Trichloroacetic anhydride

HCID 20079CAS 4124-31-6

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Grundinformationen

Standard-SMILES: O=C(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey: MEFKFJOEVLUFAY-UHFFFAOYSA-N
Summenformel: C4Cl6O3
Durchschnittliche Molmasse: 308,7 g/mol
Monoisotopische Masse: 305,79785994

Namen und Bezeichner

Bevorzugter Name: Trichloroacetic anhydride
IUPAC: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
Lokaler Name: Trichloressigsureanhydrid
Englischer Name: TRICHLOROACETIC ANHYDRIDE
Summenformel: C4Cl6O3
Molmasse: 308.74

Namen und Synonyme

TRICHLOROACETIC ANHYDRIDE4124-31-6DTXSID00871055RefChem:191000DTXCID60818729223-925-3trichloroaceticanhydrideAcetic acid, trichloro-, anhydride(2,2,2-trichloroacetyl) 2,2,2-trichloroacetatetrichloracetic anhydrideMFCD00000793EINECS 223-925-3

Weitere Namen anzeigen

TCAA2,2,2-trichloroacetic anhydrideTrichloroaceticanhyrideTrichloroaceticAnhydride97%trichloro-aceticacianhydrideTrichloroacetic Anhydride 97%Bis(trichloroacetic)anhydride

Trichloroacetyl 2,2,2-trichloroacetatetrichloroacetic acid anhydrideAcetic acid, 2,2,2-trichloro-, 1,1'-anhydrideAcetic acid, trichloro-, anhydride; Trichloracetic anhydride; Trichloroacetic acid anhydridePerchloroacetic AnhydrideC4Cl6O32,?2,?2-Trichloro-?acetic Acid 1,?1'-?Anhydride; Trichloracetic Anhydride; Trichloroacetic acid anhydrideSCHEMBL150679

Datenbank-Bezeichner

CAS: 4124-31-6
PubChem CID: 20079
DTXSID: DTXSID00871055
EC Number: 223-925-3
Nikkaji: J150.161E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 201

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Acid Anhydrides, Other

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 139 · 139-141 °C/60 mmHg (lit.)
Dichte: 1.69 g/mL · 1.69 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.484(lit.)
Flammpunkt: 98 · 98-100°C/11mm
Löslichkeit: Miscible with ether and acetic acid.
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 980355 · 980355
Dielectric constant: 5 · 5.0
Stabilität: Stable. Moisture sensitive - store under dry atmosphere. Incompatible with strong bases, strong oxidizing agents.
InChI: InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey: MEFKFJOEVLUFAY-UHFFFAOYSA-N
SMILES: O(C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl
CAS Datenbank: 4124 · 4124-31-6(CAS DataBase Reference)
EPA chemische Informationen: Acetic acid, trichloro-, anhydride (4124-31-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationAcetic acid, trichloro-, anhydride: 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.

Hazards SummaryHydrolyzed by water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Pentafluoropropionic anhydride.

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 2915907098
risk_code: 22-35
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 2,2,2-trichloro-, 1,1'-anhydride: ACTIVE

Anwendungen

VerwendenTrichloroacetic Anhydride is used in organometallic reactions as well as oxadiazole containing 5-lipoxygenase activating protein inhibitors.