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

HCID 5523659

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 74420-15-8
Standard-SMILES: Brc1c[nH]c2ncccc12
InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361

Namen und Bezeichner

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

Namen und Synonyme

3-Bromo-1H-pyrrolo[2,3-b]pyridine3-Bromo-1H-pyrrolo(2,3-b)pyridineRefChem:498304625-374-83-Bromo-7-azaindole74420-15-8MFCD021792761H-PYRROLO[2,3-B]PYRIDINE, 3-BROMO-CHEMBL4866966DTXSID80420606CS-B0099AC-3102

Weitere Namen anzeigen

3-Bromo-7-azaindole 97%3-BroMo-pyrrolo[2,3-b]pyridine3-Bromo-7-azaindole (3-bromo-1H-pyrrolo[2,3-b]pyridine）3-broMo-1H-pyrrolo[2,3-b]pyridine 5-(trifluoroMethyl)-1H-iMidazole1,2,3,4,5-Cyclopentanepentayl,1-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(R)-(dimethylamino)phenylmethyl]-,ironsalt(2:5)

SY003833EN300-3048362R-06343-bromopyrrolo[2,3-b]pyridine3-Bromo-pyrrolo[2,3-b]pyridine;3-Bromo-7-aza indoleSCHEMBL4106243-Bromo-7-azaindole, 97%

Datenbank-Bezeichner

CAS: 74420-15-8
PubChem CID: 5523659
DTXSID: DTXSID80420606
ChEMBL: CHEMBL4866966
EC Number: 625-374-8
Nikkaji: J848.793F

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: 185 · 185-189 °C
Siedepunkt: 345.4 · 345.4±42.0 °C(Predicted)
Dichte: 1.79 · 1.79±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Dichloromethane, Ethyl Acetate
pka: 5.89 · 5.89±0.20(Predicted)
Aggregatzustand: Powder
Farbe: White to brown
InChI: 1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N
SMILES: Brc1c[nH]c2ncccc12
CAS Datenbank: 74420 · 74420-15-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (93.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.5%): 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 44 reports by companies from 6 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 (90.9%)；Skin Irrit. 2 (97.7%)；Eye Dam. 1 (93.2%)；STOT SE 3 (95.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811
hs_code: 29339900
risk_code: 22-37/38-41
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3