Grundinformationen
- Standard-SMILES
N#Cc1ccc(B(O)O)c(F)c1- InChIKey
HFAUMAIVCYTVQR-UHFFFAOYSA-N- Summenformel
- C7H5BFNO2
- Durchschnittliche Molmasse
- 164,93 g/mol
- Monoisotopische Masse
- 165,03973702
Namen und Bezeichner
- Bevorzugter Name
- 4-Cyano-2-Fluorophenylboronic Acid
- IUPAC
- (4-cyano-2-fluorophenyl)boronic acid
- Englischer Name
- 4-Cyano-2-fluorophenylboronic acid
- Summenformel
- C7H5BFNO2
- Molmasse
- 164.93
Namen und Synonyme
4-Cyano-2-fluorophenylboronic acidRefChem:522189108-496-1640-260-81150114-77-4(4-Cyano-2-fluorophenyl)boronic acidMFCD07644472Boronic acid, B-(4-cyano-2-fluorophenyl)-4-Cyano-2-fluorobenzeneboronic acid4-Cyano-2-fluorophenylboronicacid4-Borono-3-fluorobenzonitrileSCHEMBL1289604
Weitere Namen anzeigen
4-Cyano-2-fluorobenzeneboronic acid 98%4-CYANO-2-FLUOROPHENYLBORONIC ACID 97%4-Cyano-2-fluorophenylboronic acid, 97%,
SCHEMBL29956448DTXSID50660653HFAUMAIVCYTVQR-UHFFFAOYSA-N4-cyano-2-fluoro-phenylboronic acidSBB087858AKOS005257717(4-cyano-2-fluoro-phenyl)boronic acid4-Cyano-2-fluorobenzeneboronicacid98%
Datenbank-Bezeichner
- CAS
1150114-77-4- PubChem CID
- 44755209
- DTXSID
DTXSID50660653- EC Number
- 108-496-1、640-260-8
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 64,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 203
Physikochemische Eigenschaften
- Siedepunkt
- 347.9 · 347.9±52.0 °C(Predicted)
- Dichte
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Solid
- pka
- 7.18 · 7.18±0.58(Predicted)
- InChI
- 1S/C7H5BFNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H
- InChIKey
- HFAUMAIVCYTVQR-UHFFFAOYSA-N
- SMILES
- OB(O)C1=CC=C(C#N)C=C1F
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2931900090
- risk_code
- 41
- safety_code
- 26-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden4-Cyano-2-fluorobenzeneboronic acid is used an active pharmaceutical intermediate.
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