2-(Trichloroacetyl)pyrrole (HCID 321487)

Namen und Bezeichner

Bevorzugter Name: 2-(Trichloroacetyl)pyrrole
IUPAC: 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
Englischer Name: 2-(TRICHLOROACETYL)PYRROLE
Summenformel: C6H4Cl3NO
Molmasse: 212.46

Namen und Synonyme

2-(Trichloroacetyl)pyrroleDTXSID70313578RefChem:462443DTXCID60264702671-031-035302-72-82,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethan-1-oneMFCD00128757Ethanone, 2,2,2-trichloro-1-(1H-pyrrol-2-yl)-2-(trichloroacetyl)-1h-pyrrole2-trichloroacetyl-1H-pyrrole

Weitere Namen anzeigen

NSC 272669LABOTEST-BB LT00452244trichloroacetyl)pyrrole2-(Trichloroacetyl)-pyrrol2-(Trichloroacetyl)-1H-pyrr2-PYRROLYL TRICHLOROMETHYL KETONE

2,2,2-trichloro-1-(1h-pyrrol-2-yl)-ethanone2,2,2-trichloro-1-pyrrol-2-ylethan-1-one2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone; 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone; 2-(Trichloroacetyl)-1H-pyrrole; NSC 272669; Pyrrol-2-yl Trichloromethyl Ketone;NSC272669trichloroacetyl pyrrole2-trichloracetyl pyrrole2-trichloroacetyl pyrrole2-Trichloroacetylpyrrolidine

Datenbank-Bezeichner

CAS: 35302-72-8
PubChem CID: 321487
DTXSID: DTXSID70313578
ChEMBL: CHEMBL4994876
EC Number: 671-031-0
Nikkaji: J705.927B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 32,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 166

Physikochemische Eigenschaften

Schmelzpunkt: 72 · 72-74 °C (lit.)
Siedepunkt: 285 ℃ · 285℃
Dichte: 1.591 · 1.591
Flammpunkt: 126 ℃ · 126℃
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Powder
pka: 14.18 · 14.18±0.50(Predicted)
Farbe: Pale gray
InChI: 1S/C6H4Cl3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H
InChIKey: BBFDGMDENAEMKF-UHFFFAOYSA-N
SMILES: ClC(Cl)(Cl)C(=O)c1ccc[nH]1
CAS Datenbank: 35302 · 35302-72-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 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

Hazard Classes and CategoriesSkin Corr. 1C (14.3%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；STOT SE 3 (85.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1759 8/PG III
hs_code: 29339900
risk_code: 36/37/38-36/37//38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-(Trichloroacetyl)pyrrole, is a building block used for the synthesis of more complex pharmaceutical compounds, such as Oroidin, Hymenidin and Clathrodin.