2,2'-dichloressigsaeureanhydrid

Acetic acid, 2,2-dichloro-, 1,1'-anhydride

HCID 77772CAS 4124-30-5

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Grundinformationen

Standard-SMILES: O=C(OC(=O)C(Cl)Cl)C(Cl)Cl
InChIKey: RQHMQURGSQBBJY-UHFFFAOYSA-N
Summenformel: C4H2Cl4O3
Durchschnittliche Molmasse: 239,9 g/mol
Monoisotopische Masse: 237,875805

Namen und Bezeichner

Bevorzugter Name: Acetic acid, 2,2-dichloro-, 1,1'-anhydride
IUPAC: (2,2-dichloroacetyl) 2,2-dichloroacetate
Lokaler Name: 2,2'-dichloressigsaeureanhydrid
Englischer Name: DICHLOROACETIC ANHYDRIDE
Summenformel: C4H2Cl4O3
Molmasse: 239.87

Namen und Synonyme

Dichloroacetic anhydride4124-30-5Acetic acid, dichloro-, anhydrideMB3OGR64INAcetic acid, 2,2-dichloro-, 1,1'-anhydrideNSC-401832DTXSID5041011RefChem:586728DTXCID3021011223-924-8Dichloroacetic acid anhydride(2,2-dichloroacetyl) 2,2-dichloroacetate

Weitere Namen anzeigen

DICHOLOROACETIC ANHYDRIDEDichloroacetetic anhydridedichloro-aceticacianhydrideBIS(DICHLOROACETIC)ANHYDRIDEDichloroacetic anhydride 96%Dichloroacetic anhydride,98%dichloro-aceticacid-anhydrideanhydridkyselinydichloroctove

Anhydrid kyseliny dichloroctove2,2'-Dichloroacetic anhydrideUNII-MB3OGR64INEINECS 223-924-82,2-Dichloroacetic anhydrideNSC 401832Anhydrid kyseliny dichloroctove [Czech]BRN 0512173

Datenbank-Bezeichner

CAS: 4124-30-5
PubChem CID: 77772
DTXSID: DTXSID5041011
UNII: MB3OGR64IN
EC Number: 223-924-8
Nikkaji: J1.828G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1248

Physikochemische Eigenschaften

Schmelzpunkt: 30 °C · ~30 °C
Siedepunkt: 214 · 214-216 °C (lit.)
Dichte: 1.574 g/mL · 1.574 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.483(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Acetonitrile (Soluble), Chloroform (Soluble)
Aggregatzustand: Liquid After Melting
Farbe: Clear colorless
BRN: 512173 · 512173
Stabilität: Moisture sensitive
InChI: 1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey: RQHMQURGSQBBJY-UHFFFAOYSA-N
SMILES: ClC(Cl)C(=O)OC(=O)C(Cl)Cl
CAS Datenbank: 4124 · 4124-30-5
EPA chemische Informationen: Acetic acid, dichloro-, anhydride (4124-30-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)；Skin Corr. 1B (100%)；Acute Tox. 4 (97.5%)

Regulatorische Informationen

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 21
wgk: 3
tsca: TSCA listed
ridadr: UN 2923 8/PG 3
hs_code: 29154000
RTECS-Nr.: AG6300000
risk_code: 20/21/22-34
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

VerwendenDichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.