(Cyclopent-1-en-1-yl)boronic acid

HCID 3861343

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 850036-28-1
Standard-SMILES: OB(O)C1=CCCC1
InChIKey: UZBHNSVUMGIKLU-UHFFFAOYSA-N
Summenformel: C5H9BO2
Durchschnittliche Molmasse: 111,94 g/mol
Monoisotopische Masse: 112,06955993

Namen und Bezeichner

Bevorzugter Name: (Cyclopent-1-en-1-yl)boronic acid
IUPAC: cyclopenten-1-ylboronic acid
Englischer Name: Cyclopenten-1-ylboronic acid
Summenformel: C5H9BO2
Molmasse: 111.93

Namen und Synonyme

(Cyclopent-1-en-1-yl)boronic acidRefChem:406064691-688-7850036-28-1cyclopenten-1-ylboronic acidcyclopent-1-en-1-ylboronic acid1-cyclopentenylboronic Acidcyclopentenylboronic acidcyclopenten-1-yl boronic acidMFCD021794961-cyclopenteneboronic acidCyclopent-1-ene-1-boronic acid

Weitere Namen anzeigen

openten-1-yL1-Boronocyclopent-1-eneCyclopenten-1-ylboronic

CYCLOPENTENE-1-BORONIC ACIDcyclopenteneboronic acid1-cyclopenten-1-ylboronic acidAKOS006230633HY-W0009811-Cyclopentenylboronic Acid (contains varying amounts of Anhydride)Boronic acid, 1-cyclopenten-1-yl-Cyclopentene-l-boronic acid

Datenbank-Bezeichner

CAS: 850036-28-1
PubChem CID: 3861343
DTXSID: DTXSID40397507
EC Number: 691-688-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 109

Physikochemische Eigenschaften

Schmelzpunkt: 134 · 134-140°C
Siedepunkt: 246.7 · 246.7±33.0 °C(Predicted)
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 9.44 · 9.44±0.20(Predicted)
Aggregatzustand: solid
Farbe: white to pale yellow
InChI: 1S/C5H9BO2/c7-6(8)5-3-1-2-4-5/h3,7-8H,1-2,4H2
InChIKey: UZBHNSVUMGIKLU-UHFFFAOYSA-N
SMILES: OB(O)C1=CCCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H312+H332 (83%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (83%)

Sicherheitsdaten

wgk: WGK 3
tsca: No
hs_code: 29319090
risk_code: 36/37/38-41-37/38
hazard_code: Xi
hazard_note: Harmful/Irritant/Keep Cold
safety_code: 26-36/37/39-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3