5-bromo-1H-indazole
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Grundinformationen
- CAS
53857-57-1- Standard-SMILES
Brc1ccc2[nH]ncc2c1- InChIKey
STVHMYNPQCLUNJ-UHFFFAOYSA-N- Summenformel
- C7H5BrN2
- Durchschnittliche Molmasse
- 197,03 g/mol
- Monoisotopische Masse
- 195,96361
Namen und Bezeichner
- Bevorzugter Name
- 5-bromo-1H-indazole
- IUPAC
- 5-bromo-1H-indazole
- Englischer Name
- 5-bromo-1H-indazole
- Summenformel
- C7H5BrN2
- Molmasse
- 197.03
Namen und Synonyme
5-bromo-1H-indazole53857-57-1DTXSID50354020RefChem:102081DTXCID60305083626-190-05-Bromoindazole5-Bromo-2H-indazole465529-55-91h-indazole, 5-bromo-MFCD008394935-bromoazaindole
Weitere Namen anzeigen
4-BROMOIMIDAZOLESW-4SWF-45-Bromoindazole-25-Bromoindazole >1H-Indazole, 5-bromo-5-Bromo-1H-indazole 97%5-Bromo-1H-indazole ,98%
5-bromo-azaindole5-bromo-1hindazoleSCHEMBL5562CHEMBL16425cid_761929HMS2497K17BDBM50099398AKOS000320310
Datenbank-Bezeichner
- CAS
53857-57-1- PubChem CID
- 761929
- DTXSID
DTXSID50354020- ChEMBL
CHEMBL16425- EC Number
- 626-190-0
- Nikkaji
- J1.536.246D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 129
Physikochemische Eigenschaften
- Schmelzpunkt
- 131 · 131-135 °C(lit.)
- Siedepunkt
- 333.8 · 333.8±15.0 °C(Predicted)
- Dichte
- 1.77 · 1.770±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 12.74 · 12.74±0.40(Predicted)
- Farbe
- White to Light yellow to Light orange
- InChI
- InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
- InChIKey
- STVHMYNPQCLUNJ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(Br)C=C2)C=N1
- CAS Datenbank
- 53857 · 53857-57-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (93.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339900
- RTECS-Nr.
- NI3517450
- risk_code
- 25-36/37/38-22-41
- hazard_code
- T,Xn
- hazard_note
- Harmful
- safety_code
- 26-36-36/37/39-22-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden5-bromo-1H-indazole (5-BIA) is an indazole compound that can be used as a raw material in organic synthesis for the preparation of compounds such as 5-Iodo-1H-indazole and 3,5-Dibromo-1H-indazole. 5-BIA and its derivatives (7-BIA) can also be used as a highly effective corrosion inhibitor for copper and the protective ability of 5-BIA is more prominent than that of 7-BIA. 5-BIA and its derivatives (7-BIA) can also be used as highly efficient corrosion inhibitors for copper, and 5-BIA has a more prominent protective ability than 7-BIA. 1.5 mM 5-BIA and 1.5 mM 7-BIA have corrosion inhibition efficiencies (ηE) as high as 97.1 % and 94.0 %, respectively[1].
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