[4-(Morpholine-4-carbonyl)phenyl]boronic acid

HCID 2773546
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Grundinformationen

CAS
389621-84-5
Standard-SMILES
O=C(c1ccc(B(O)O)cc1)N1CCOCC1
InChIKey
KMNLIQJXZPBCDU-UHFFFAOYSA-N
Summenformel
C11H14BNO4
Durchschnittliche Molmasse
235,05 g/mol
Monoisotopische Masse
235,1015881

Namen und Bezeichner

Bevorzugter Name
[4-(Morpholine-4-carbonyl)phenyl]boronic acid
IUPAC
[4-(morpholine-4-carbonyl)phenyl]boronic acid
Englischer Name
4-(Morpholine-4-carbonyl)phenylboronic acid
Summenformel
C11H14BNO4
Molmasse
235.04

Namen und Synonyme

389621-84-5(4-(Morpholine-4-carbonyl)phenyl)boronic acid[4-(morpholine-4-carbonyl)phenyl]boronic AcidDTXSID50378544RefChem:208516DTXCID503295714-(Morpholine-4-carbonyl)phenylboronic acid4-(Morpholinocarbonyl)phenyl boronic acidMFCD034119524-(Morpholinocarbonyl)benzeneboronic AcidBORONIC ACID, [4-(4-MORPHOLINYLCARBONYL)PHENYL]-4-(Morpholine-4-carbonyl)phebylboronic acid
Weitere Namen anzeigen
4-(4-Boronobenzoyl)morpholineN-MORPHOLINYL 4-BORONOBENZAMIDE(4-boronophenyl)(morpholin-4-yl)methanone4-(Morpholine-4-carbonyl)phenylboronicaci4-(4-MORPHOLINYLCARBONYL)PHENYLBORONIC ACID4-(MORPHOLINE-4-CARBONYL)BENZENEBORONIC ACID
SCHEMBL1090914-[(MORPHOLIN-4-YL)CARBONYL]BENZENEBORONIC ACIDKMNLIQJXZPBCDU-UHFFFAOYSA-NAB1076SBB098352AKOS015855865AB14322AS-2463

Datenbank-Bezeichner

CAS
389621-84-5
PubChem CID
2773546
DTXSID
DTXSID50378544
EC Number
688-281-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
70 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
17

Physikochemische Eigenschaften

Schmelzpunkt
126 · 126-132°C
Siedepunkt
481.6 · 481.6±55.0 °C(Predicted)
Dichte
1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
8.29 · 8.29±0.16(Predicted)
Aggregatzustand
solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
WGK 3
hs_code
2934999090
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Morpholinocarbonyl)benzeneboronic Acid, is a building block used for the synthesis of various pharmaceutical and biologically active compounds. It is used for the synthesis of a series of arylphthalazine derivatives as potent, and orally bioavailable inhibitors of VEGFR-2.

Anbieter53 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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