4-Chloro-1H-pyrrolo[2,3-b]pyridine

HCID 11389493
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Grundinformationen

CAS
55052-28-3
Standard-SMILES
Clc1ccnc2[nH]ccc12
InChIKey
HNTZVGMWXCFCTA-UHFFFAOYSA-N
Summenformel
C7H5ClN2
Durchschnittliche Molmasse
152,58 g/mol
Monoisotopische Masse
152,0141259

Namen und Bezeichner

Bevorzugter Name
4-Chloro-1H-pyrrolo[2,3-b]pyridine
IUPAC
4-chloro-1H-pyrrolo[2,3-b]pyridine
Englischer Name
4-Chloro-7-azaindole
Summenformel
C7H5ClN2
Molmasse
152.58

Namen und Synonyme

4-chloro-1H-pyrrolo[2,3-b]pyridine4-Chloro-1H-pyrrolo(2,3-b)pyridineRefChem:520811626-806-84-CHLORO-7-AZAINDOLE55052-28-3MFCD082722324-chlor-1H-pyrrolo[2,3-b]pyridinSCHEMBL1006514-Chloro-7-azaindole, 97%CHEMBL4204893DTXSID50464294
Weitere Namen anzeigen
IFLAB-BB F2108-0145SW-61SWF-61oro-7-azaindoL4-Chlro-7-Azindole4-chloro-7-azindole4-Chloro-7-Nazaindole4-Chloro-7-azaindole ,97%
CS-B0097PB29499C2470EN300-99341AN-584/434168981H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-4-choro-7-azaindoleAM20061315

Datenbank-Bezeichner

CAS
55052-28-3
PubChem CID
11389493
DTXSID
DTXSID50464294
ChEMBL
CHEMBL4204893
EC Number
626-806-8
Nikkaji
J2.293.599B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
28,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
176 · 176-181 °C
Dichte
1.425 · 1.425±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
solid
pka
12.98 · 12.98±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (92.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (94.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 8 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. 3 (92.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (94.2%)；STOT SE 3 (98.1%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
29339900
risk_code
22-37/38-41
hazard_code
Xi,Xn
safety_code
26-39

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-Chloro-7-azaindole belongs to the class of azaindole compounds, which has anticancer, antibacterial, antiviral and other biological activities. 4-Chloro-7-azaindole is mainly used as an organic intermediate in the preparation of 7-azaindole derivatives, GDC-0575, and Janus kinase inhibitors.

Verwenden4-Chloro-7-azaindole can be used as a useful intermediate for drug discovery research.

Darstellung · 1 Eintrag

synthetischeUsing 7-azaindole as the raw material, hydrogen peroxide was used to carry out N-oxidation reaction to generate N-oxide. In the reaction between POCl and N-oxide, diisopropylethylamine (DIPEA) was added as a catalyst to increase the yield. After the reaction was completed, 4-Chloro-7-azaindole was obtained by alkalization treatment with a yield of up to 85.6%.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
阜新孚隆宝医药科技有限公司15901742157 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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