3-Fluorbenzoylchlorid

3-Fluorobenzoyl chloride

HCID 74376CAS 1711-07-5

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cccc(F)c1
InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N
Summenformel: C7H4ClFO
Durchschnittliche Molmasse: 158,56 g/mol
Monoisotopische Masse: 157,9934706

Namen und Bezeichner

Bevorzugter Name: 3-Fluorobenzoyl chloride
IUPAC: 3-fluorobenzoyl chloride
Lokaler Name: 3-Fluorbenzoylchlorid
Englischer Name: 3-Fluorobenzoyl chloride
Summenformel: C7H4ClFO
Molmasse: 158.56

Namen und Synonyme

3-Fluorobenzoyl chlorideBenzoyl chloride, 3-fluoro-3-Fluorobenzoxyl chlorideEINECS 216-977-3NSC 88315meta-Fluorobenzoyl chlorideDTXSID5061906RefChem:93951DTXCID7035480216-977-3SYVNVEGIRVXRQH-UHFFFAOYSA-N1711-07-5

Weitere Namen anzeigen

m-FluorobenzoylAKOS BBS-000039153-Fluorobenzoyl chlofluorobenzoylchloride3-fluoro-benzoylchlorid3-Fluorobenzoylchloride98%3-FluorobenzoylChloride>

m-Fluorobenzoyl chloride3-fluorobenzoylchlorideMFCD00000670Benzoyl chloride, m-fluoro-m-Fluorobenzoic acid chloride3-fluorobenzoic acid chlorideYP3X7K7SYBNSC-88315

Datenbank-Bezeichner

CAS: 1711-07-5
PubChem CID: 74376
DTXSID: DTXSID5061906
UNII: YP3X7K7SYB
EC Number: 216-977-3
Nikkaji: J143K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: -30 °C · -30 °C (lit.)
Siedepunkt: 189 °C · 189 °C (lit.)
Dichte: 1.304 g/mL · 1.304 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.529(lit.)
Flammpunkt: 180 °F · 180 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
BRN: 636610 · 636610
InChI: InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=CC(F)=C1
CAS Datenbank: 1711 · 1711-07-5(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzoyl chloride, 3-fluoro-(1711-07-5)
EPA chemische Informationen: 3 · Benzoyl chloride, 3-fluoro- (1711-07-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 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 51 reports by companies from 5 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

Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Regulatorische Informationen

Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29163900
risk_code: 34-37-36/37-14
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-28A-27
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoyl chloride, 3-fluoro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-Fluorobenzoyl chloride was used in synthesis of 4-[18F]fluoro-N-[2-[1-(2-methoxyphenyl)-1-piperazinyl]ethyl-N-2-pyridinyl-benzamide by radiosynthesis. It was also used as reagent in one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol-5-yl)amides. It was used in three phase hollow fiber liquid-phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.