(Isoquinolin-6-yl)boronic acid
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Grundinformationen
- CAS
899438-92-7- Standard-SMILES
OB(O)c1ccc2cnccc2c1- InChIKey
OBUOMTRFSCUDKS-UHFFFAOYSA-N- Summenformel
- C9H8BNO2
- Durchschnittliche Molmasse
- 172,98 g/mol
- Monoisotopische Masse
- 173,0648087
Namen und Bezeichner
- Bevorzugter Name
- (Isoquinolin-6-yl)boronic acid
- IUPAC
- isoquinolin-6-ylboronic acid
- Englischer Name
- 6-Isoquinolinyl-boronic acid
- Summenformel
- C9H8BNO2
- Molmasse
- 172.98
Namen und Synonyme
(isoquinolin-6-yl)boronic acidRefChem:406571696-205-3isoquinolin-6-ylboronic acid899438-92-7Isoquinoline-6-boronic acid6-Isoquinolinyl-boronic acidISOQUINOLIN-6-YL-6-BORONIC ACIDMFCD10697418Boronic acid, 6-isoquinolinyl-ISOQUINOLIN-6-BORONIC ACID6-Isoquinolinylboronic
Weitere Namen anzeigen
6-Boronoisoquinoline6-isoquinolineboronic acidB-6-Isoquinolinylboronic acidBoronic acid,B-6-isoquinolinyl-6-Boronoisoquinoline, 6-Borono-2-azanaphthalene
6-isoquinolylboronic acidSCHEMBL1519997SCHEMBL29956276DTXSID50657366OBUOMTRFSCUDKS-UHFFFAOYSA-NAKOS006343040PB22420PS-9773
Datenbank-Bezeichner
- CAS
899438-92-7- PubChem CID
- 44119669
- DTXSID
DTXSID50657366- EC Number
- 696-205-3
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 53,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 177
Physikochemische Eigenschaften
- Siedepunkt
- 419.1 · 419.1±37.0 °C(Predicted)
- Dichte
- 1.28 · 1.28
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- 7.68 · 7.68±0.30(Predicted)
- InChI
- 1S/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H
- InChIKey
- OBUOMTRFSCUDKS-UHFFFAOYSA-N
- SMILES
- OB(O)c1ccc2cnccc2c1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933499090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter54 Anbieter
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安徽合诺生物科技有限公司18455579438
上海景颜化工科技有限公司13817811078 · [email protected]
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