3-Bromo-5-fluorobenzonitrile

HCID 2783330

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Grundinformationen

CAS: 179898-34-1
Standard-SMILES: N#Cc1cc(F)cc(Br)c1
InChIKey: IADLVSLZPQYXIF-UHFFFAOYSA-N
Summenformel: C7H3BrFN
Durchschnittliche Molmasse: 200,01 g/mol
Monoisotopische Masse: 198,94328942

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-fluorobenzonitrile
IUPAC: 3-bromo-5-fluorobenzonitrile
Englischer Name: 3-Bromo-5-fluorobenzonitrile
Summenformel: C7H3BrFN
Molmasse: 200.01

Namen und Synonyme

3-bromo-5-fluorobenzonitrile179898-34-1DTXSID50382585RefChem:93204DTXCID70333610605-876-3Benzonitrile, 3-bromo-5-fluoro-3-Bromo-5-fluorobenzonitroleMFCD040382273-bromo-5-fluoro-benzonitrile3-bromo-5-fluorobenzenecarbonitrile3-fluoro-5-bromobenzonitrile

Weitere Namen anzeigen

CAS:179898-34-13-Cyano-5-fluorobromobenzene3-BroMo-5-fluoronitrobenzene3-Bromo-5-fluorobenzonitrile98%3-Bromo-5-fluorobenzonitrile 98%-Bromo-5-fluorobenzonitrile 98%

5-bromo-3-fluorobenzenecarbonitrile3-fluoro-5-bromobenzonitileSCHEMBL4192883-cyano-5-fluoro-bromobenzene3-fluoro-5-cyano-bromobenzeneIADLVSLZPQYXIF-UHFFFAOYSA-NCS-D1719CL9095

Datenbank-Bezeichner

CAS: 179898-34-1
PubChem CID: 2783330
DTXSID: DTXSID50382585
EC Number: 605-876-3
Nikkaji: J2.417.707F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 43 °C · 43 °C
Siedepunkt: 218.7 · 218.7±20.0 °C(Predicted)
Dichte: 1.69 · 1.69±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to lump
Farbe: White to Almost white
InChI: InChI=1S/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey: IADLVSLZPQYXIF-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(F)=CC(Br)=C1
CAS Datenbank: 179898 · 179898-34-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (10%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (40%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 3439
hs_code: 2926907090
risk_code: 20/21/22-36/37/38-36-22
hazard_code: T,Xi,Xn
hazard_note: Toxic
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden3-Bromo-5-fluorobenzonitrile is a compound of benzonitrile containing bromine and fluorine atoms, which is mainly used as an intermediate component in organic synthesis.