5-Chlorothiophene-2-boronic acid

HCID 2734324

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 162607-18-3
Standard-SMILES: OB(O)c1ccc(Cl)s1
InChIKey: JFCLNCVCDFUJPO-UHFFFAOYSA-N
Summenformel: C4H4BClO2S
Durchschnittliche Molmasse: 162,41 g/mol
Monoisotopische Masse: 161,97135845

Namen und Bezeichner

Bevorzugter Name: 5-Chlorothiophene-2-boronic acid
IUPAC: (5-chlorothiophen-2-yl)boronic acid
Englischer Name: 5-Chlorothiophene-2-boronic acid
Summenformel: C4H4BClO2S
Molmasse: 162.4

Namen und Synonyme

5-Chlorothiophene-2-boronic acid162607-18-3DTXSID00370215RefChem:535025DTXCID90321251672-311-5(5-chlorothiophen-2-yl)boronic Acid5-Chloro-2-thienylboronic acid5-Chloro-2-thiopheneboronic AcidMFCD00236030(5-chloro-2-thienyl)boronic acidBoronic acid, (5-chloro-2-thienyl)-

Weitere Namen anzeigen

MR01020501CAS:162607-18-3TIMTEC-BB SBB003942RARECHEM AH PB 01605-Chlorothiophene-2-Boronic5-Chlorothiophene-2-boronicaci5-chlorothiophene-2-borate acid

5-chlorothiophen-2-boronic acid5-chlorothiophen-2-ylboronic acidCHEMBL1425925-chlorothiophen-2-yl boronic acidNCGC00092005-01AC-16385SY0155755-chloro-2-thiophenylbo

Datenbank-Bezeichner

CAS: 162607-18-3
PubChem CID: 2734324
DTXSID: DTXSID00370215
ChEMBL: CHEMBL142592
EC Number: 672-311-5
Nikkaji: J1.059.508H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-140 °C(lit.)
Siedepunkt: 320.9 · 320.9±52.0 °C(Predicted)
Dichte: 1.5 · 1.50±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
pka: 8.28 · 8.28±0.53(Predicted)
Aggregatzustand: solid
Farbe: White to Light yellow
BRN: 8478804 · 8478804
InChI: 1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChIKey: JFCLNCVCDFUJPO-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(Cl)s1
CAS Datenbank: 162607 · 162607-18-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (10%): 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, 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 10 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 (30%)

Sicherheitsdaten

wgk: 3
hs_code: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Chlorothiophene-2-boronic Acid is a useful reagent for Suzuki-Miyaura cross coupling reaction of arylboronic acids with bromoquinoline.