2,3-Difluorbenzonitril

2,3-Difluorobenzonitrile

HCID 88935CAS 21524-39-0

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Grundinformationen

Standard-SMILES: N#Cc1cccc(F)c1F
InChIKey: GKPHNZYMLJPYJJ-UHFFFAOYSA-N
Summenformel: C7H3F2N
Durchschnittliche Molmasse: 139,1 g/mol
Monoisotopische Masse: 139,02335542

Namen und Bezeichner

Bevorzugter Name: 2,3-Difluorobenzonitrile
IUPAC: 2,3-difluorobenzonitrile
Lokaler Name: 2,3-Difluorbenzonitril
Englischer Name: 2,3-Difluorobenzonitrile
Summenformel: C7H3F2N
Molmasse: 139.1

Namen und Synonyme

2,3-Difluorobenzonitrile21524-39-0DTXSID40175862RefChem:81645DTXCID9098353244-418-3Benzonitrile, 2,3-difluoro-MFCD000099762,3-difluorobenzenecarbonitriledifluorobenzonitrile2,3-Difluorobenzonitril2,3-difluoro-benzonitrile

Weitere Namen anzeigen

BUTTPARK 87\01-742,3-Difluorobenzonit2,3-fluorobenzonitrile,3-Difluorobenzonitrile2,3-Difluorobenzonitrile22,3-Difluorobenzonitrile98%2,3-Difluorobenzonitrile>2,3-Difluorobenzonitrile 98%

SCHEMBL1585371,2-difluoro-3-cyano-benzeneSCHEMBL2649838SCHEMBL2649839SCHEMBL304438472,3-Difluorobenzonitrile, 98%EINECS 244-418-3CL8131

Datenbank-Bezeichner

CAS: 21524-39-0
PubChem CID: 88935
DTXSID: DTXSID40175862
EC Number: 244-418-3
Nikkaji: J149.702B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 189 °C · 189 °C
Dichte: 1.254 g/mL · 1.254 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4882(lit.)
Flammpunkt: 167 °F · 167 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Wichte: 1.254 · 1.254
BRN: 2085621 · 2085621
InChI: 1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey: GKPHNZYMLJPYJJ-UHFFFAOYSA-N
SMILES: Fc1cccc(C#N)c1F
CAS Datenbank: 21524 · 21524-39-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): 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 49 reports by companies from 9 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 (95.9%)；Acute Tox. 4 (95.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (98%)；Acute Tox. 4 (95.9%)；STOT SE 3 (93.9%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-36/37/39-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3