1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
Grundinformationen
- CAS
156270-06-3- Standard-SMILES
O=C(O)c1c[nH]c2ncccc12- InChIKey
KYBIRFFGAIFLPM-UHFFFAOYSA-N- Summenformel
- C8H6N2O2
- Durchschnittliche Molmasse
- 162,15 g/mol
- Monoisotopische Masse
- 162,04292744
Namen und Bezeichner
- Bevorzugter Name
- 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
- IUPAC
- 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
- Englischer Name
- 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
- Summenformel
- C8H6N2O2
- Molmasse
- 162.15
Namen und Synonyme
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid156270-06-3DTXSID204362211H-Pyrrolo(2,3-b)pyridine-3-carboxylic acidRefChem:240784DTXCID60387046626-855-57-AZAINDOLE-3-CARBOXYLIC ACID1H-Pyrrolo[2,3-b]pyridine-3-carboxylicacidMFCD07778360SCHEMBL9852147-Azaindole-3-carboxylic acid, 95%
Weitere Namen anzeigen
7-azaindole-3-carboxylic ...7-Azaindole-3-carboxylic acid 95%Methyl 7-azaindole-3-carboxylic acidPyrrolo[2,3-b]pyridine-3-carboxylicacid1H-Pyrrolo[2,3-B]Pyridine-3-CarboxylicAci1H-pyrrolo[2,3-b]pyridine-3-carbo×ylic acid1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 3-Carboxy-1H-pyrrolo[2,3-b]pyridine
CS-W019745PB23519NCGC00326021-01EN300-51102AB01321260-02Z385370186AM200508381H-Pyrrolo[2,3-b]pyr
Datenbank-Bezeichner
- CAS
156270-06-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 66 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 195
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 · 205-209 °C
- Siedepunkt
- 425.3 · 425.3±45.0 °C(Predicted)
- Dichte
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 0.52 · 0.52±0.20(Predicted)
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)(H,11,12)
- InChIKey
- KYBIRFFGAIFLPM-UHFFFAOYSA-N
- SMILES
- C12NC=C(C(O)=O)C1=CC=CN=2
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Anwendungen
Verwenden7-Azaindole-3-carboxylic acid is a reactant for synthesis of azaindol derivatives as new acrosin inhibitors and for preparation of triazoles via regioselective heterocyclizaiton reactions. It is also a reactant for synthesis of azaindolylcarboxy-endo-tropanamide.
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