2-Bromo-3-fluorobenzonitrile

HCID 2783393CAS 425379-16-4

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Grundinformationen

Standard-SMILES: N#Cc1cccc(F)c1Br
InChIKey: DBECKESJFGWYFN-UHFFFAOYSA-N
Summenformel: C7H3BrFN
Durchschnittliche Molmasse: 200,01 g/mol
Monoisotopische Masse: 198,94329

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-3-fluorobenzonitrile
IUPAC: 2-bromo-3-fluorobenzonitrile
Englischer Name: 2-Bromo-3-fluorobenzonitrile
Summenformel: C7H3BrFN
Molmasse: 200.01

Namen und Synonyme

2-bromo-3-fluorobenzonitrile425379-16-4DTXSID60382632RefChem:257062DTXCID90333657696-566-72-Bromo-3-fluoro-benzonitrileMFCD07368773Benzonitrile, 2-bromo-3-fluoro-Benzonitrile,2-bromo-3-fluoro-2-bromo-3-fluorobenzenecarbonitrileSCHEMBL185325

Weitere Namen anzeigen

2-BROMO-3-FLUOROBENZONITRIL2-Bromo-3-fluorobenzonitrile99%

SCHEMBL30151887DBECKESJFGWYFN-UHFFFAOYSA-NSBB064429TD1102AKOS015834903AB32074AC-4027CS-W003386

Datenbank-Bezeichner

CAS: 425379-16-4
PubChem CID: 2783393
DTXSID: DTXSID60382632
EC Number: 696-566-7
Nikkaji: J2.004.860C

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: 60.2 · 60.2-61.3°C
Siedepunkt: 252.8 · 252.8±25.0 °C(Predicted)
Dichte: 1.69 · 1.69±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
Farbe: Cream
InChI: InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChIKey: DBECKESJFGWYFN-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC(F)=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (66.7%)；STOT SE 3 (66.7%)