2-Fluorbenzamid

2-Fluorobenzamide

HCID 67964CAS 445-28-3

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Grundinformationen

Standard-SMILES: NC(=O)c1ccccc1F
InChIKey: KGGHWIKBOIQEAJ-UHFFFAOYSA-N
Summenformel: C7H6FNO
Durchschnittliche Molmasse: 139,13 g/mol
Monoisotopische Masse: 139,04334198

Namen und Bezeichner

Bevorzugter Name: 2-Fluorobenzamide
IUPAC: 2-fluorobenzamide
Lokaler Name: 2-Fluorbenzamid
Englischer Name: 2-Fluorobenzamide
Summenformel: C7H6FNO
Molmasse: 139.13

Namen und Synonyme

2-Fluorobenzamide445-28-3Benzamide, 2-fluoro-Benzamide, o-fluoro-HM4GB9599UDTXSID4075407RefChem:87143DTXCID0040337207-157-6o-FluorobenzamideMFCD00007970ortho-Fluorobenzamide

Weitere Namen anzeigen

Benzamide, 2-fLo-fluoro-benzamid2-fluoro-benzamid2-Fluorobenzamide>ortho-Fluorobenzamide2-Fluorobenzamide,98%LABOTEST-BB LT00848244

o-Fluorobenzoic acid amideBRN 2325863EINECS 207-157-6fluorobenzamidefluorobenzene-carboxamide2-Fluorobenzamide, 98%2-carbamoyl-1-fluorobenzeneA1CT0

Datenbank-Bezeichner

CAS: 445-28-3
PubChem CID: 67964
DTXSID: DTXSID4075407
ChEMBL: CHEMBL121910
UNII: HM4GB9599U
EC Number: 207-157-6
Nikkaji: J149.989K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.00109 [mmHg]

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-119 °C (lit.)
Siedepunkt: 238.4 · 238.4±23.0 °C(Predicted)
Dichte: 1.2099 · 1.2099 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand: powder to crystal
pka: 15.27 · 15.27±0.50(Predicted)
Farbe: White to Almost white
BRN: 2325863 · 2325863
InChI: InChI=1S/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey: KGGHWIKBOIQEAJ-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=CC=C1F
CAS Datenbank: 445 · 445-28-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzamide, 2-fluoro-(445-28-3)
EPA chemische Informationen: 2 · Benzamide, 2-fluoro- (445-28-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 6 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.