4-Fluorbenzoylchlorid

4-Fluorobenzoyl chloride

HCID 67879CAS 403-43-0

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Grundinformationen

Standard-SMILES: O=C(Cl)c1ccc(F)cc1
InChIKey: CZKLEJHVLCMVQR-UHFFFAOYSA-N
Summenformel: C7H4ClFO
Durchschnittliche Molmasse: 158,56 g/mol
Monoisotopische Masse: 157,99347065

Namen und Bezeichner

Bevorzugter Name: 4-Fluorobenzoyl chloride
IUPAC: 4-fluorobenzoyl chloride
Lokaler Name: 4-Fluorbenzoylchlorid
Englischer Name: 4-Fluorobenzoyl chloride
Summenformel: C7H4ClFO
Molmasse: 158.56

Namen und Synonyme

4-Fluorobenzoyl chloride403-43-0Benzoyl chloride, 4-fluoro-p-Fluorobenzoyl chlorideBenzoyl chloride, p-fluoro-p-Fluorobenzoic acid chlorideEINECS 206-961-4NSC 88305DTXSID5059953CZKLEJHVLCMVQR-UHFFFAOYSA-pFluorobenzoyl chlorideBenzoyl chloride, pfluoro

Weitere Namen anzeigen

DK122SKL746p-FluorobenzoylAKOS BBS-000039214-Fluorobenzoyl chloFluorobenzoyl chlorid4-FluorbenzoylchloridLABOTEST-BB LTBB0007474-Fluorobenozylchloride

RefChem:523397Benzoyl chloride, 4fluoropFluorobenzoic acid chlorideDTXCID2039750206-961-4InChI=1/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H4-fluorobenzoylchlorideMFCD00000684

Datenbank-Bezeichner

CAS: 403-43-0
PubChem CID: 67879
DTXSID: DTXSID5059953
UNII: WW9JD3YJ9Q
EC Number: 206-961-4
Nikkaji: J45K

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: 130

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesChemical shift

Physical DescriptionColorless liquid with a pungent odor; mp = 10-12 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 10 · 10-12 °C (lit.)
Siedepunkt: 82 °C/20 · 82 °C/20 mmHg (lit.)
Dichte: 1.342 g/mL · 1.342 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.532(lit.)
Flammpunkt: 180 °F · 180 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Chloroform
Aggregatzustand: Liquid
Wichte: 1.342 · 1.342
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Reacts with water.
BRN: 386215 · 386215
Stabilität: Moisture Sensitive
InChI: 1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey: CZKLEJHVLCMVQR-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C(Cl)=O
CAS Datenbank: 403 · 403-43-0(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzoyl chloride, 4-fluoro-(403-43-0)
EPA chemische Informationen: 4 · Benzoyl chloride, 4-fluoro- (403-43-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 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 64 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzoyl chloride, 4-fluoro-

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

Hazards SummaryReacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

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

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 10-19
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29163900
risk_code: 34-36/37-14
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: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoyl chloride, 4-fluoro-: ACTIVE

Anwendungen

VerwendenIt is used in the synthesis of polyphenylene ether and thioether ketones and also in the synthesis fluorinated poly(aryl ether ketone)s containing 1,4-naphthalene moieties. It is also used as a raw material in engineering of plastics.