(3-(Prop-1-yn-1-yl)phenyl)boronic acid

HCID 66847759

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1189373-19-0
Standard-SMILES: CC#Cc1cccc(B(O)O)c1
InChIKey: IYTRBBPLPNGLBT-UHFFFAOYSA-N
Summenformel: C9H9BO2
Durchschnittliche Molmasse: 159,98 g/mol
Monoisotopische Masse: 160,0695597

Namen und Bezeichner

Bevorzugter Name: (3-(Prop-1-yn-1-yl)phenyl)boronic acid
IUPAC: (3-prop-1-ynylphenyl)boronic acid
Englischer Name: 3-(prop-1-ynyl)phenylboronic acid
Summenformel: C9H9BO2
Molmasse: 159.98

Namen und Synonyme

[3-(prop-1-yn-1-yl)phenyl]boronic acid1189373-19-0(3-(Prop-1-yn-1-yl)phenyl)boronic acidRefChem:399721827-744-63-(Prop-1-ynyl)phenylboronic acid(3-prop-1-ynylphenyl)boronic acidSCHEMBL932696SCHEMBL29469118IYTRBBPLPNGLBT-UHFFFAOYSA-NPXB37319HS-3245

Weitere Namen anzeigen

3-(prop-1-yn-1-yl)phenyl]boronic acidB-[3-(1-Propyn-1-yl)phenyl]boronic acidBoronic acid, B-[3-(1-propyn-1-yl)phenyl]-

[3-(prop-1-yn-1-yl)phenyl]boronicacidDB-084600CS-0225111EN300-122745H50198F647129Z1255453073

Datenbank-Bezeichner

CAS: 1189373-19-0
PubChem CID: 66847759
EC Number: 827-744-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 201

Physikochemische Eigenschaften

Siedepunkt: 349.7 · 349.7±44.0 °C(Predicted)
Dichte: 1.14 · 1.14±0.1 g/cm3(Predicted)
pka: 7.96 · 7.96±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 (100%): 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 2 reports by companies from 2 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.