4-Amino-2,3,5,6-tetrafluorbenzonitril

4-Amino-2,3,5,6-tetrafluorobenzonitrile

HCID 87322CAS 17823-38-0

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Grundinformationen

Standard-SMILES: N#Cc1c(F)c(F)c(N)c(F)c1F
InChIKey: ZFQKTZQBBRHWPC-UHFFFAOYSA-N
Summenformel: C7H2F4N2
Durchschnittliche Molmasse: 190,1 g/mol
Monoisotopische Masse: 190,01541072

Namen und Bezeichner

Bevorzugter Name: 4-Amino-2,3,5,6-tetrafluorobenzonitrile
IUPAC: 4-amino-2,3,5,6-tetrafluorobenzonitrile
Lokaler Name: 4-Amino-2,3,5,6-tetrafluorbenzonitril
Englischer Name: 4-AMINO-2,3,5,6-TETRAFLUOROBENZONITRILE
Summenformel: C7H2F4N2
Molmasse: 190.1

Namen und Synonyme

4-Amino-2,3,5,6-tetrafluorobenzonitrile4-AminotetrafluorobenzonitrileBenzonitrile, 4-amino-2,3,5,6-tetrafluoro-EINECS 241-783-0DTXSID7075131RefChem:97680DTXCID5035666241-783-017823-38-0MFCD000076454-Amino-2,3,5,6-Tetrafluoro-Benzonitrile4-amino-2,3,5,6-tetrafluorobenzenecarbonitrile

Weitere Namen anzeigen

4-Amino-2,3,5,6-tetrafluorobenzonitrile99%4-Amino-2,3,5,6-tetrafluorobenzonitrile 99%

4-Cyano-2,3,5,6-tetrafluoroaniline, 4-Amino-2,3,5,6-tetrafluorobenzonitrileSCHEMBL5154882SCHEMBL6656796TIMTEC-BB SBB0002814-Aminotetrafluorobenzonitrile 99%SBB000281AKOS006222288AT26912

Datenbank-Bezeichner

CAS: 17823-38-0
PubChem CID: 87322
DTXSID: DTXSID7075131
EC Number: 241-783-0
Nikkaji: J287.160B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 222

Physikochemische Eigenschaften

Schmelzpunkt: 96 · 96-98 °C(lit.)
Siedepunkt: 234.9 · 234.9±40.0 °C(Predicted)
Dichte: 1.712 g/cm3 · 1.712 g/cm3
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
pka: -3.09 · -3.09±0.10(Predicted)
CAS Datenbank: 17823 · 17823-38-0(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Aminotetrafluorobenzonitrile (17823-38-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 39 reports by companies from 2 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.