3,4,5-Trifluorobenzoyl chloride

HCID 2777023CAS 177787-26-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(Cl)c1cc(F)c(F)c(F)c1
InChIKey: YRUNCQNKZIQTEO-UHFFFAOYSA-N
Summenformel: C7H2ClF3O
Durchschnittliche Molmasse: 194,54 g/mol
Monoisotopische Masse: 193,9746269

Namen und Bezeichner

Bevorzugter Name: 3,4,5-Trifluorobenzoyl chloride
IUPAC: 3,4,5-trifluorobenzoyl chloride
Englischer Name: 3,4,5-Trifluorobenzoyl chloride
Summenformel: C7H2ClF3O
Molmasse: 194.54

Namen und Synonyme

3,4,5-Trifluorobenzoyl chloride3,4,5-trifluorobenzoylchloride17787-26-7DTXSID60938991RefChem:485709DTXCID601367504623-691-6671-453-5177787-26-7Benzoyl chloride, 3,4,5-trifluoro-MFCD00083526starbld0001660

Weitere Namen anzeigen

SKL1228Lasmiditan Impurity 503,4,5-Trifluorobenzoyl chloride 97%Benzoyl chloride, 3,4,5-trifluoro- (9CI)

3 4 5-TRIFLUOROBENZOYL CHLORIDE 97SCHEMBL193908PS-10696D94577Benzoyl chloride,3,4,5-trifluoro-FT-0614142A8122977-(5-amino-5-carboxyvaleramido)cephalosporanicacid

Datenbank-Bezeichner

CAS: 177787-26-7、17787-26-7
PubChem CID: 2777023
DTXSID: DTXSID60938991
EC Number: 623-691-6、671-453-5
Nikkaji: J3.588.010K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 122 · 122-123℃
Siedepunkt: 173 · 173-174 °C (lit.)
Dichte: 1.485 g/mL · 1.4850 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4900(lit.)
Flammpunkt: 154 °F · 154 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
Farbe: Clear, faint yellow
InChI: 1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H
InChIKey: YRUNCQNKZIQTEO-UHFFFAOYSA-N
SMILES: Fc1cc(cc(F)c1F)C(Cl)=O
CAS Datenbank: 177787 · 177787-26-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, 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.；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 Categories · 2 Einträge

Skin Corr. 1B (100%)；Eye Dam. 1 (100%)

Skin Corr. 1 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2916399090
risk_code: 34
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden3,4,5-Trifluorobenzoyl chloride may be used as one of the reactant to synthesize 3,4,5-trifluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-pyridin-2-ylbenzamide.