(4-Chloro-2-methylphenyl)boronic acid

HCID 5017600CAS 209919-30-2

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Grundinformationen

Standard-SMILES: Cc1cc(Cl)ccc1B(O)O
InChIKey: SRXXSLUUAWHGBZ-UHFFFAOYSA-N
Summenformel: C7H8BClO2
Durchschnittliche Molmasse: 170,4 g/mol
Monoisotopische Masse: 170,03058758

Namen und Bezeichner

Bevorzugter Name: (4-Chloro-2-methylphenyl)boronic acid
IUPAC: (4-chloro-2-methylphenyl)boronic acid
Englischer Name: 4-CHLORO-2-METHYLPHENYLBORONIC ACID
Summenformel: C7H8BClO2
Molmasse: 170.4

Namen und Synonyme

(4-chloro-2-methylphenyl)boronic acidRefChem:402606681-532-64-Chloro-2-methylphenylboronic acid209919-30-24-chloro-2-methylbenzeneboronic acid4-Chloro-o-tolylboronic acidMFCD02683107(4-chloro-2-methyl-phenyl)boronic Acid2-methyl-4-chlorophenylboronic acid2-methyl-4-chloro-phenylboronic acid2-methyl-4-chlorophenyl-boronic acid

Weitere Namen anzeigen

AKOS BRN-02294-CHLORO-2-METHYLPHENYL2-Borono-5-chlorotoluene4-CHLORO-O-TOLUENEBORONIC ACID4-Chloro-2-Methylphenylboronic(4-chloro-2-methylphenyl)boronicaci(2-Methyl-4-chlorophenyl)boronic acid

(4-chloro-2-methylphenyl) boronic acid4-Chloro-2-methylphenylboronic Acid (contains varying amounts of Anhydride)Boronic acid, (4-chloro-2-methylphenyl)-4-chloro-2-methylphenyl boronic acidAM20050347SCHEMBL6244025-chloro-o-toluene boronic acidSCHEMBL29825793

Datenbank-Bezeichner

CAS: 209919-30-2
PubChem CID: 5017600
DTXSID: DTXSID90407549
EC Number: 681-532-6
Nikkaji: J3.130.046K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-195°C
Siedepunkt: 314.9 · 314.9±52.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 8.47 · 8.47±0.58(Predicted)
Farbe: White to Almost white
InChIKey: SRXXSLUUAWHGBZ-UHFFFAOYSA-N
CAS Datenbank: 209919 · 209919-30-2(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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.