2-Fluorphenylacetonitril

Benzeneacetonitrile, 2-fluoro-

HCID 67592

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

326-62-52-Fluorophenylacetonitrileo-FluorophenylacetonitrileBenzeneacetonitrile, 2-fluoro-o-Fluorobenzyl cyanideAcetonitrile, (o-fluorophenyl)-2-FLUOROBENZENEACETONITRILEEINECS 206-313-0NSC 88280DTXSID1059810RefChem:562953DTXCID0038540
Weitere Namen anzeigen
Endothelin 1,TFAo-Fluorobenzyl nitrile2-Fluorophenylacetonitr2-FluorobenzylCyanide>2-Fluoroethylene nitrile2-Fluorophdnylacetonitrile
206-313-0InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2-(2-fluorophenyl)acetonitrile2-Fluorobenzyl cyanide(2-fluorophenyl)acetonitrileMFCD000018972-(2-fluorophenyl)ethanenitrileNCIOpen2_001403

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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

Hazard Classes and CategoriesFlam. Liq. 3 (10.6%);Acute Tox. 4 (97.9%);Acute Tox. 4 (97.9%);Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);Acute Tox. 4 (97.9%);STOT SE 3 (87.2%)

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzeneacetonitrile, 2-fluoro-: INACTIVE

Anwendungen

Verwenden2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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