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

HCID 22273643

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Grundinformationen

CAS: 348640-06-2
Standard-SMILES: Brc1ccnc2[nH]ccc12
InChIKey: LEZHTYOQWQEBLH-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361026

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-1H-pyrrolo[2,3-b]pyridine
IUPAC: 4-bromo-1H-pyrrolo[2,3-b]pyridine
Englischer Name: 4-Bromo-7-azaindole
Summenformel: C7H5BrN2
Molmasse: 197.03

Namen und Synonyme

348640-06-24-bromo-1H-pyrrolo[2,3-b]pyridineDTXSID906241734-bromo-1H-pyrrolo(2,3-b)pyridineRefChem:290544DTXCID90574927625-999-64-Bromo-7-azaindole4-Bromo-7-AzaindolMFCD08272233CHEMBL42065531H-PYRROLO[2,3-B]PYRIDINE, 4-BROMO-

Weitere Namen anzeigen

SW-65SWF-65CAS:348640-06-24-Bromo-8-azaindole4-broMo-1H-pyrrolo[24-Bromo-1H-pyrrolo-[2,3]pyridine

SCHEMBL996904-Bromo-7-azaindole, 96%orb29401414-bromopyrrolo[2,3-b]pyridineSCHEMBL27535432SCHEMBL29431169CS-B0098AB1241

Datenbank-Bezeichner

CAS: 348640-06-2
PubChem CID: 22273643
DTXSID: DTXSID90624173
ChEMBL: CHEMBL4206553
EC Number: 625-999-6
Nikkaji: J2.607.772I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-183 °C
Dichte: 1.77 · 1.770±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 12.95 · 12.95±0.40(Predicted)
Aggregatzustand: Solid
Farbe: Yellow to orange
InChI: InChI=1S/C7H5BrN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKey: LEZHTYOQWQEBLH-UHFFFAOYSA-N
SMILES: C12NC=CC1=C(Br)C=CN=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (91.7%): Toxic if swallowed [Danger Acute toxicity, oral]

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 48 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (91.7%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung4-Bromo-7-azaindole is a small molecule pyridine compound containing a bromine functional group. This substance can be used as a basic structure for the synthesis of other complex organisms. It is also a good reagent and can react with amides, amines, amino acid esters and phenolic compounds through the formation of C-N and C-O bonds.