2,6-Difluorbenzoylchlorid

2,6-Difluorobenzoyl chloride

HCID 87438CAS 18063-02-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(Cl)c1c(F)cccc1F
InChIKey: QRHUZEVERIHEPT-UHFFFAOYSA-N
Summenformel: C7H3ClF2O
Durchschnittliche Molmasse: 176,55 g/mol
Monoisotopische Masse: 175,98404884

Namen und Bezeichner

Bevorzugter Name: 2,6-Difluorobenzoyl chloride
IUPAC: 2,6-difluorobenzoyl chloride
Lokaler Name: 2,6-Difluorbenzoylchlorid
Englischer Name: 2,6-Difluorobenzoyl chloride
Summenformel: C7H3ClF2O
Molmasse: 176.55

Namen und Synonyme

2,6-Difluorobenzoyl chloride18063-02-0EINECS 241-971-2DTXSID90170988RefChem:83232DTXCID0093479241-971-2Benzoyl chloride, 3,4-difluoro-QRHUZEVERIHEPT-UHFFFAOYSA-NBenzoyl chloride, 2,6-difluoro-2,6-difluorobenzoylchlorideMFCD00000659

Weitere Namen anzeigen

FACFUROIC ACIDSKL122496.0%(T&2,6-difluoro2-CARBOXYFURANPYROMUCIC ACIDAKOS BBS-00003916ALPHA-FUROIC ACIDAKOS BBS-00003721

2,6-diflurobenzoyl chloride2,6-diflourobenzoyl chloride2,6-difluoro benzoylchloride2.6-difluorobenzoyl chloride2,6-difluro-benzoyl chlorideSCHEMBL1052552,6-difluoro benzoyl chloride2,6-difluoro-benzoyl chloride

Datenbank-Bezeichner

CAS: 18063-02-0
PubChem CID: 87438
DTXSID: DTXSID90170988
EC Number: 241-971-2
Nikkaji: J260.859F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 153

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-132 °C(lit.)
Siedepunkt: 72 · 72-77 °C/13 mmHg (lit.)
Dichte: 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.501(lit.)
Flammpunkt: 121 °F · 121 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Wichte: 1.404 · 1.404
Wasserlöslichkeit: REACTS
BRN: 639438 · 639438
InChI: InChI=1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
InChIKey: QRHUZEVERIHEPT-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=C(F)C=CC=C1F
CAS Datenbank: 18063 · 18063-02-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,6-Difluorobenzoyl chloride(18063-02-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (92.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzoyl chloride, 2,6-difluoro-

Status: Active Update: 11-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24003

Benzoyl chloride, 2,6-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (92.2%)

Sicherheitsdaten

F: 21
wgk: 3
ridadr: UN 2920 8/PG 2
hs_code: 29163990
RTECS-Nr.: LV1763000
risk_code: 36/37/38-34-10
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-28A-16
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Difluorobenzoyl chloride has been used in:the preparation of series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-onesregioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridineFriedel-Crafts acylation reaction of toluene, anisol, thioanisol, 4-phenoxyacetophenone and N,N-diacetyl-4-phenoxyaniline