3-Amino-5-cyanobenzeneboronic acid hydrochloride
Grundinformationen
- CAS
913835-26-4- Standard-SMILES
Cl.N#Cc1cc(N)cc(B(O)O)c1- InChIKey
DBXOAJZFPXYVHT-UHFFFAOYSA-N- Summenformel
- C7H8BClN2O2
- Durchschnittliche Molmasse
- 198,42 g/mol
- Monoisotopische Masse
- 198,0367354
Namen und Bezeichner
- Bevorzugter Name
- 3-Amino-5-cyanobenzeneboronic acid hydrochloride
- IUPAC
- (3-amino-5-cyanophenyl)boronic acid;hydrochloride
- Englischer Name
- 3-Amino-5-cyanobenzeneboronic acid hydrochloride 97
- Summenformel
- C6H5BrN2O2
- Molmasse
- 198.4162
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
913835-26-4- PubChem CID
- 44119354
- DTXSID
DTXSID30657162- EC Number
- 801-136-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 90,3 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 201
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-125
- storage temp.
- Keep Cold
- Aggregatzustand
- solid
- Farbe
- Off White
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 2 reports by companies from 1 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.
Sicherheitsdaten
- hs_code
- 2931900090
- hazard_code
- T,Xi
- hazard_note
- Irritant/Keep Cold
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