2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)

HCID 4100862CAS 90002-36-1

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Grundinformationen

Standard-SMILES: CCc1ccccc1B(O)O
InChIKey: QSSPYZOSTJDTTL-UHFFFAOYSA-N
Summenformel: C8H11BO2
Durchschnittliche Molmasse: 149,98 g/mol
Monoisotopische Masse: 150,08520999

Namen und Bezeichner

Bevorzugter Name: 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (2-ethylphenyl)boronic acid
Englischer Name: 2-Ethylphenylboronic acid
Summenformel: C8H11BO2
Molmasse: 149.98

Namen und Synonyme

2-Ethylphenylboronic acid (contains varying amounts of Anhydride)RefChem:472029677-274-92-Ethylphenylboronic acid90002-36-1(2-ethylphenyl)boronic acid2-Ethylbenzeneboronic AcidBORONIC ACID, (2-ETHYLPHENYL)-MFCD02093075O-ETHYLPHENYLBORONIC ACID2-Ethylphenyl boronic acid2-ethylbenzene boronic acid

Weitere Namen anzeigen

AKOS BRN-02412-ETHYLPHENYLBORONIC2-EthylphenylboronicAci2-Ethylbenzeneboronic acid, 98+%Boronic acid, B-(2-ethylphenyl)-2-Ethylphenylboronic acid - [E3120]

AKOS003237622SY018048E08182-Ethylphenylboronicacid2-ethylphenylboronic?acid2-ethyl benzene boronic acidSCHEMBL410387SCHEMBL4957021

Datenbank-Bezeichner

CAS: 90002-36-1
PubChem CID: 4100862
DTXSID: DTXSID60399321
EC Number: 677-274-9
Nikkaji: J1.474.153D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 117

Physikochemische Eigenschaften

Schmelzpunkt: 102.5 · 102.5-107.5 °C(lit.)
Siedepunkt: 299.1 · 299.1±33.0 °C(Predicted)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.61 · 8.61±0.58(Predicted)
Farbe: White to Almost white
BRN: 2963801 · 2963801
InChI: 1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: QSSPYZOSTJDTTL-UHFFFAOYSA-N
SMILES: CCc1ccccc1B(O)O
CAS Datenbank: 90002 · 90002-36-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.