4-Isopropoxybenzeneboronic acid

HCID 3698726CAS 153624-46-5
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Grundinformationen

Standard-SMILES
CC(C)Oc1ccc(B(O)O)cc1
InChIKey
CJUHQADBFQRIMC-UHFFFAOYSA-N
Summenformel
C9H13BO3
Durchschnittliche Molmasse
180,01 g/mol
Monoisotopische Masse
180,09577468

Namen und Bezeichner

Bevorzugter Name
4-Isopropoxybenzeneboronic acid
IUPAC
(4-propan-2-yloxyphenyl)boronic acid
Englischer Name
4-Isopropoxylphenylboronic acid
Summenformel
C9H13BO3
Molmasse
180.01

Namen und Synonyme

4-Isopropoxybenzeneboronic acidRefChem:524316639-275-24-Isopropoxyphenylboronic acid153624-46-54-isopropoxylphenylboronic acid(4-isopropoxyphenyl)boronic acid(4-propan-2-yloxyphenyl)boronic Acid4-iso-Propoxyphenylboronic acid[4-(propan-2-yloxy)phenyl]boronic acidMFCD03427051BORONIC ACID, [4-(1-METHYLETHOXY)PHENYL]-
Weitere Namen anzeigen
FS000901AKOS BRN-0675542474_ALDRICHCHEMBRDG-BB 40097334-Isopropoxyphenylboronic1-Borono-4-isopropoxybenzene4-Isopropoxyphenylboronic aci4-IsopropoxylphenylboronicaciP-ISOPROPOXYPHENYLBORONIC ACID
4-(1-METHYLETHOXY)PHENYLBORONIC ACID4-(isopropoxy)phenylboronic acid4-(1-methylethoxyl)phenylboronic acidCS-W007585HY-W007585AC-24816[4-(1-Methylethoxy)phenyl]-boronic Acid; (4-Isopropyloxyphenyl)boronic Acid; 4-Isopropoxybenzeneboronic Acid; 4-Isopropoxyphenylboronic Acid; [4-(1-Methylethoxy)phenyl]boronic Acid4-ISOPROPYLOXYPHENYLBORONIC ACID

Datenbank-Bezeichner

CAS
153624-46-5
PubChem CID
3698726
DTXSID
DTXSID60395202
EC Number
639-275-2
Nikkaji
J2.152.806D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
49,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
150 · 150-154°C
Siedepunkt
321.9 · 321.9±44.0 °C(Predicted)
Dichte
1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
pka
8.78 · 8.78±0.17(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Sicherheitsdaten

wgk
3
hs_code
29319090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39-36-24/25
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:• ;Microwave-mediated click-chemistry synthesis of glyco-porphyrin derivatives with in vitro photo-cytotoxicity for application in photodynamic therapy1• ;Palladium-catalyzed oxidative cross-coupling reactions2• ;Ruthenium-catalyzed hydrogenation reactions3• ;Stereoselective rhodium-catalyzed arylation4• ;Palladium acetate catalyzed C-glycosidation5

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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