2-Chloro-5-(dihydroxyboranyl)benzoic acid
Grundinformationen
- CAS
913835-32-2- Standard-SMILES
O=C(O)c1cc(B(O)O)ccc1Cl- InChIKey
RHIXAJHFXGTSAL-UHFFFAOYSA-N- Summenformel
- C7H6BClO4
- Durchschnittliche Molmasse
- 200,38 g/mol
- Monoisotopische Masse
- 200,0047665
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-5-(dihydroxyboranyl)benzoic acid
- IUPAC
- 5-borono-2-chlorobenzoic acid
- Englischer Name
- 3-Carboxy-4-chlorobenzeneboronic acid
- Summenformel
- C7H6BClO4
- Molmasse
- 200.38
Namen und Synonyme
2-chloro-5-(dihydroxyboranyl)benzoic acidRefChem:469210689-916-55-borono-2-chlorobenzoic acid913835-32-23-CARBOXY-4-CHLOROPHENYLBORONIC ACID3-CARBOXY-4-CHLOROBENZENEBORONIC ACIDBenzoicacid, 5-borono-2-chloro-MFCD06801689SCHEMBL7877185-borono-2-chloro-benzoic acidBenzoicacid,5-borono-2-chloro-
Weitere Namen anzeigen
3-Carboxy-4-chL5-Borono-2-chlorobenzoicaci3-Carboxy-4-chlorophenylboronic3-Carboxy-4-chlorophenylboronic Acid (contains varying amounts of Anhydride)3-Carboxy-4-chlorobenzeneboronic Acid (contains varying amounts of Anhydride)
CS-W003355GS-6639SY0251035-Borono-2-chlorobenzoicacidAM20050342SCHEMBL29954641DTXSID70629621RHIXAJHFXGTSAL-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
913835-32-2- PubChem CID
- 23005333
- DTXSID
DTXSID70629621
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 199
Physikochemische Eigenschaften
- Schmelzpunkt
- 223 · 223-225
- Siedepunkt
- 438 · 438.0±55.0 °C(Predicted)
- Dichte
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 2.91 · 2.91±0.25(Predicted)
- Aggregatzustand
- solid
- Farbe
- off white
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): 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, 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 7 reports by companies from 4 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 CategoriesAcute Tox. 4 (14.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (85.7%)
Sicherheitsdaten
- hs_code
- 2931900090
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- hazard_class
- IRRITANT, KEEP COLD
Chemie und Industrie
Anwendungen
Verwendensuzuki reaction
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
8
Notizen zur Verbindung
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