2,4,6-Trichlorobenzoyl chloride
Grundinformationen
- CAS
4136-95-2- Standard-SMILES
O=C(Cl)c1c(Cl)cc(Cl)cc1Cl- InChIKey
OZGSEIVTQLXWRO-UHFFFAOYSA-N- Summenformel
- C7H2Cl4O
- Durchschnittliche Molmasse
- 243,9 g/mol
- Monoisotopische Masse
- 241,8859754
Namen und Bezeichner
- Bevorzugter Name
- 2,4,6-Trichlorobenzoyl chloride
- IUPAC
- 2,4,6-trichlorobenzoyl chloride
- Englischer Name
- 2,4,6-Trichlorobenzoyl chloride
- Summenformel
- C7H2Cl4O
- Molmasse
- 243.9
Namen und Synonyme
2,4,6-Trichlorobenzoyl chloride4136-95-2Benzoyl chloride, 2,4,6-trichloro-UNII-1083Y98L1D2,4,6-Trichlorobenzoyl chloride [MI]1083Y98L1DDTXSID80369980RefChem:82097DTXCID10321016609-916-02,4,6-TrichlorobenzoylchlorideMFCD00075323
Weitere Namen anzeigen
SKL1271TrichlorobenzoylchloridePhloroglucinol Impurity 842,4,6-TRICHLORBENZOYLCHLORID2,4,6-TrichlorobenzoyChloride2,4,6-Ttrichlorobenzoyl chlorideBenzoyl chloride,2,4,6-trichloro-2,4,6-trichlorobenzeneformylchloro
SCHEMBL3335702,4,6-trichloro benzoyl chloride2,4,6-Trichlorobenzoyl chloride, 97%AC-10123T1413EN300-316966Q27251129Trichlorobenzoyl Impurity 1
Datenbank-Bezeichner
- CAS
4136-95-2- PubChem CID
- 2733703
- DTXSID
DTXSID80369980- UNII
- 1083Y98L1D
- EC Number
- 609-916-0
- Nikkaji
- J152.953F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 172
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-166 °C
- Siedepunkt
- 107 · 107-108 °C/6 mmHg (lit.)
- Dichte
- 1.561 g/mL · 1.561 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5754(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Sparingly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- Wichte
- 1.561 · 1.561
- Farbe
- Clear yellow
- Wasserlöslichkeit
- Reacts with water.
- BRN
- 2050280 · 2050280
- InChI
- 1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
- InChIKey
- OZGSEIVTQLXWRO-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1c(Cl)cc(Cl)cc1Cl
- CAS Datenbank
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163990
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45-25
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Anwendungen
Beschreibung2,4,6-Trichlorobenzoyl chloride is a chemical compound that forms during the synthesis of benzalkonium chloride. It can be used as an efficient method for the synthesis of fatty acids and cyclic peptides. The reaction products are chlorinated and have a hydroxyl group. It is used in the synthesis of fatty acids by reacting with acetic acid to produce a chlorinated fatty acid. Hydroxyl groups react with 2,4,6-trichlorobenzoyl chloride to form a chlorinated hydroxy fatty acid.
Verwenden2,4,6-Trichlorobenzoyl chloride may be used in the preparation of:γ-lactone and δ-lactonealiphatic aromatic anhydrides, required for the synthesis of amphiphilic hyaluronanmixed anhydride, required for the synthesis of angelate esterssynthesis of both spongistatin 1 and spongistatin 2large-ring lactones in high yields.
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