2-Morpholinopyrimidine-5-boronic acid

HCID 46864007CAS 870521-33-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
OB(O)c1cnc(N2CCOCC2)nc1
InChIKey
KFYQOIHLZBDFBU-UHFFFAOYSA-N
Summenformel
C8H12BN3O3
Durchschnittliche Molmasse
209,01 g/mol
Monoisotopische Masse
209,0971714

Namen und Bezeichner

Bevorzugter Name
2-Morpholinopyrimidine-5-boronic acid
IUPAC
(2-morpholin-4-ylpyrimidin-5-yl)boronic acid
Englischer Name
2-Morpholinopyrimidin-5-ylboronic acid
Summenformel
C8H12BN3O3
Molmasse
209.01

Namen und Synonyme

2-Morpholinopyrimidine-5-boronic acidRefChem:476313802-136-3870521-33-82-MORPHOLINOPYRIMIDIN-5-YLBORONIC ACID2-(Morpholine-4-yl)pyrimidine-5-boronic acidMFCD07375148(2-morpholinopyrimidin-5-yl)boronic acid(2-MORPHOLIN-4-YLPYRIMIDIN-5-YL)BORONIC ACID[2-(morpholin-4-yl)pyrimidin-5-yl]boronic acid(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic acid2-morpholinopyrimidin-5-ylboronicacid
Weitere Namen anzeigen
2-morpholino-5-pyrimidineboronic acid(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic2-Morpholinopyrimidin-5-ylboronic acid 95%[2-(4-Morpholinyl)-5-pyrimidinyl]boronic acidBoronic acid,B-[2-(4-morpholinyl)-5-pyrimidinyl]-2-Morpholinopyrimidine-5-boronic acid(contains varying amounts of Anhydride)
C8H12BN3O3[2-(morpholin-4-yl)pyrBoronic acid, [2-(4-morpholinyl)-5-pyrimidinyl]-SCHEMBL5525017DTXSID30676914KFYQOIHLZBDFBU-UHFFFAOYSA-NAKOS015855906AB41290

Datenbank-Bezeichner

CAS
870521-33-8
PubChem CID
46864007
DTXSID
DTXSID30676914
EC Number
802-136-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
78,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
2
Schwere Atome
15

Physikochemische Eigenschaften

Siedepunkt
484 · 484.0±55.0 °C(Predicted)
Dichte
1.37 · 1.37
storage temp.
2 · Inert atmosphere,2-8°C
pka
3.02 · 3.02±0.19(Predicted)
Aggregatzustand
solid
InChI
1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 2 reports by companies from 2 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 (50%)

Sicherheitsdaten

wgk
WGK 3
hs_code
2934999090
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Zugehörige Reaktionen

1
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…