(3-Chlorophenyl)boronic acid
Grundinformationen
- CAS
63503-60-6- Standard-SMILES
OB(O)c1cccc(Cl)c1- InChIKey
SDEAGACSNFSZCU-UHFFFAOYSA-N- Summenformel
- C6H6BClO2
- Durchschnittliche Molmasse
- 156,38 g/mol
- Monoisotopische Masse
- 156,0149373
Namen und Bezeichner
- Bevorzugter Name
- (3-Chlorophenyl)boronic acid
- IUPAC
- (3-chlorophenyl)boronic acid
- Englischer Name
- 3-Chlorophenylboronic acid
- Summenformel
- C6H6BClO2
- Molmasse
- 156.37
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
63503-60-6- PubChem CID
- 2734323
- DTXSID
DTXSID40370214- ChEMBL
CHEMBL164616- EC Number
- 628-786-6
- Nikkaji
- J920.027D
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 110
Physikochemische Eigenschaften
- Schmelzpunkt
- 185 · 185-189 °C(lit.)
- Siedepunkt
- 311.4 · 311.4±44.0 °C(Predicted)
- Dichte
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- pka
- 7.55 · 7.55±0.10(Predicted)
- Aggregatzustand
- Crystalline Powder or Needles
- Farbe
- White to light yellow-green
- Wasserlöslichkeit
- Slightly soluble in water. soluble in ether, tetrahydrofuran,, dimethyl sulfoxide, dimethyl formamide, methanol.
- BRN
- 2936343 · 2936343
- InChI
- InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
- InChIKey
- SDEAGACSNFSZCU-UHFFFAOYSA-N
- SMILES
- B(C1=CC=CC(Cl)=C1)(O)O
- CAS Datenbank
- 63503 · 63503-60-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.
Warning
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (74.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (23.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (23.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (74.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (21.8%): 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 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 55 reports by companies.;There are 12 notifications provided by 54 of 55 reports by companies with hazard statement code(s).;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
- hs_code
- 29163990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 36-37/39-26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Anwendungen
Verwendensuzuki reaction
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…