Grundinformationen
- CAS
326-62-5- Standard-SMILES
N#CCc1ccccc1F- InChIKey
DAVJMKMVLKOQQC-UHFFFAOYSA-N- Summenformel
- C8H6FN
- Durchschnittliche Molmasse
- 135,14 g/mol
- Monoisotopische Masse
- 135,04842736
Namen und Bezeichner
- Bevorzugter Name
- Benzeneacetonitrile, 2-fluoro-
- IUPAC
- 2-(2-fluorophenyl)acetonitrile
- Lokaler Name
- 2-Fluorphenylacetonitril
- Englischer Name
- 2-Fluorobenzyl cyanide
- Summenformel
- C8H6FN
- Molmasse
- 135.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
326-62-5- PubChem CID
- 67592
- DTXSID
DTXSID1059810- EC Number
- 206-313-0
- Nikkaji
- J193.744H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 147
Physikochemische Eigenschaften
- Siedepunkt
- 114 · 114-117 °C/20 mmHg (lit.)
- Dichte
- 1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5009(lit.)
- Flammpunkt
- 110 °F · 110 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Red to Green
- Wichte
- 1.14 · 1.14
- BRN
- 1862361 · 1862361
- InChI
- 1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
- InChIKey
- DAVJMKMVLKOQQC-UHFFFAOYSA-N
- SMILES
- Fc1ccccc1CC#N
- CAS Datenbank
- 326 · 326-62-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzeneacetonitrile, 2-fluoro-(326-62-5)
- EPA chemische Informationen
- 2 · Benzeneacetonitrile, 2-fluoro- (326-62-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (10.6%): Flammable liquid and vapor [Warning Flammable liquids];H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29269090
- risk_code
- 10-20/21/22-36/37/38
- hazard_code
- Xn,T,Xi,F
- hazard_note
- Toxic
- safety_code
- 16-26-36-24/25
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.
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