4-(Pyridin-2-yl)aminocarbonylphenylboronic acid

HCID 44119539

Grundinformationen

CAS
850568-25-1
Standard-SMILES
O=C(Nc1ccccn1)c1ccc(B(O)O)cc1
InChIKey
LEAZDTWQWNXKJM-UHFFFAOYSA-N
Summenformel
C12H11BN2O3
Durchschnittliche Molmasse
242,04 g/mol
Monoisotopische Masse
242,0862724

Namen und Bezeichner

Bevorzugter Name
4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
IUPAC
[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
Englischer Name
4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
Summenformel
C12H11BN2O3
Molmasse
242.04

Namen und Synonyme

4-(Pyridin-2-yl)aminocarbonylphenylboronic acidRefChem:516816689-936-4850568-25-1(4-(PYRIDIN-2-YLCARBAMOYL)PHENYL)BORONIC ACID4-(Pyridin-2-yl-aminocarbonyl)benzeneboronic acid[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acidMFCD06659876C12H11BN2O3[4-[(Pyridin-2-yl)carbamoyl]phenyl]boronic acid{4-[(Pyridin-2-yl)carbamoyl]phenyl}boronic acid[4-(2-pyridylcarbamoyl)phenyl]boronic acid
Weitere Namen anzeigen
EOS-61700N-2-PYRIDINYL 4-BORONOBENZAMIDE4-(PYRIDIN-2-YL)AMINOCARBONYLPHENYLBORONIC4-(pyridin-2-ylcarbamoyl)pheryl]boronic acid[(Pyridin-2-yl)carbamoyl]phenyl]boronic acid4-[(2-Pyridinylamino)carbonyl]phenyl]boronic4-[(Pyridin-2-yl)formamido]phenylboronic Acid4-(Pyridin-2-yl)aminocarboylphenylborinic acid
PCV3W6S8FG4-(2-PYRIDYLCARBAMOYL)BENZENEBORONIC ACIDSCHEMBL12419393Boronic acid, B-[4-[(2-pyridinylamino)carbonyl]phenyl]-DTXSID00657275LEAZDTWQWNXKJM-UHFFFAOYSA-NAKOS015854354AB26533

Datenbank-Bezeichner

CAS
850568-25-1
PubChem CID
44119539
DTXSID
DTXSID00657275
UNII
PCV3W6S8FG
EC Number
689-936-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
82,5 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
18

Physikochemische Eigenschaften

Schmelzpunkt
124 · 124-128
Dichte
1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
pka
8.1 · 8.10±0.16(Predicted)
InChI
InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)
InChIKey
LEAZDTWQWNXKJM-UHFFFAOYSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 2 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;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 CategoriesMuta. 2 (14.3%)

Sicherheitsdaten

hs_code
2933399990
hazard_code
Xi
hazard_note
Irritant/Keep Cold

Chemie und Industrie

Anwendungen

Verwenden4-(Pyridin-2-yl)aminocarbonylphenylboronic acid is a useful research chemical.

Anbieter100 Anbieter

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]

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