3,5-Dibromobenzeneboronic acid
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Grundinformationen
- CAS
117695-55-3- Standard-SMILES
OB(O)c1cc(Br)cc(Br)c1- InChIKey
WQBLCGDZYFKINX-UHFFFAOYSA-N- Summenformel
- C6H5BBr2O2
- Durchschnittliche Molmasse
- 279,72 g/mol
- Monoisotopische Masse
- 277,87493
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Dibromobenzeneboronic acid
- IUPAC
- (3,5-dibromophenyl)boronic acid
- Englischer Name
- 3,5-DIBROMOBENZENEBORONIC ACID
- Summenformel
- C6H5BBr2O2
- Molmasse
- 279.72
Namen und Synonyme
3,5-Dibromobenzeneboronic acidRefChem:486662681-178-23,5-Dibromophenylboronic acid117695-55-3(3,5-dibromophenyl)boronic AcidMFCD010757253,5-Dibromophenyl boronic acid3,5-dibromobenzene boronic acidBoronic acid, (3,5-dibromophenyl)-3,5-DibromophenylboronicacidSCHEMBL257564
Weitere Namen anzeigen
AKOS BRN-0062RARECHEM AH PB 00253,5-DIBROMBENZOLBORONSAEURE5-DIBROMOBENZENEBORONIC ACID3,5-DibroMobenzeneboronic Aicd3,5-Dibromophenylboronic acid,97%3,5-Dibromobenzeneboronic acid 98%
DTXSID50370447WQBLCGDZYFKINX-UHFFFAOYSA-NAKOS004116549AB08177AS-2609CS-W000861FD33437SY037759
Datenbank-Bezeichner
- CAS
117695-55-3- PubChem CID
- 2734689
- DTXSID
DTXSID50370447- EC Number
- 681-178-2
- Nikkaji
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 124
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 382.8 · 382.8±52.0 °C(Predicted)
- Dichte
- 2.09 · 2.09±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 6.58 · 6.58±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- BRN
- 6645285 · 6645285
- InChI
- InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
- InChIKey
- DKYRKAIKWFHQHM-UHFFFAOYSA-N
- SMILES
- B(C1=CC(Br)=CC(Br)=C1)(O)O
- CAS Datenbank
- 117695 · 117695-55-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；Acute Tox. 4 (14.3%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29319090
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 37/39-26-24/25
Chemie und Industrie
Anwendungen
VerwendenReactant involved in:Vacuo condensation and on-surface radical addition for synthesis of phenylene-boroxine networksLithiation of dihalophenyl dioxazaborocines yielding functionalized dihalophenylboronic acidsCycloboronation of tetrasubstituted butanetetraolsHomocoupling of arylboronic acidsSynthesis of borondipyrromethene hybridsStudies of structure and activity of NHC and dendritic NHC iridium complexes
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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