Imidazo[1,2-a]pyridine-2-carboxylic acid
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Grundinformationen
- CAS
64951-08-2- Standard-SMILES
O=C(O)c1cn2ccccc2n1- InChIKey
WQLJLPDGSLZYEP-UHFFFAOYSA-N- Summenformel
- C8H6N2O2
- Durchschnittliche Molmasse
- 162,15 g/mol
- Monoisotopische Masse
- 162,04292744
Namen und Bezeichner
- Bevorzugter Name
- Imidazo[1,2-a]pyridine-2-carboxylic acid
- IUPAC
- imidazo[1,2-a]pyridine-2-carboxylic acid
- Englischer Name
- Imidazo[1,2-a]pyridine-2-carboxylic acid
- Summenformel
- C8H6N2O2
- Molmasse
- 162.15
Namen und Synonyme
Imidazo[1,2-a]pyridine-2-carboxylic acid64951-08-2Imidazo(1,2-a)pyridine-2-carboxylic acidRefChem:147960687-149-0imidazo[1,2-a]pyridine-2-carboxylicacidMFCD03419462CHEMBL23248504-hydroimidazo[1,2-a]pyridine-2-carboxylic acidSCHEMBL118449WQLJLPDGSLZYEP-UHFFFAOYSA-NHMS1785A01
Weitere Namen anzeigen
MFCD13188642Compound Fr13959AKOS BBS-00006401TIMTEC-BB SBB010195CHEMBRDG-BB 4401038ASINEX-REAG BAS 06100978Minodronic Acid Impurity 252-Carboxyimidazo[1,2-a]pyridineH-imidazo[1,2-a]pyridine-2-carboxylic acid
ALBB-014746BDBM50427217SBB010195STK510061imidazo[1,2-a]pyridine-2-carboxylicAKOS000121717AB14484CS-W008320
Datenbank-Bezeichner
- CAS
64951-08-2- PubChem CID
- 2062168
- ChEMBL
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 54,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 195
Physikochemische Eigenschaften
- Schmelzpunkt
- 232 · 232-234℃
- Dichte
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Powder
- pka
- -4.33 · -4.33±0.41(Predicted)
- Farbe
- White to off-white
- InChI
- 1S/C8H6N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-5H,(H,11,12)
- InChIKey
- WQLJLPDGSLZYEP-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cn2ccccc2n1
- CAS Datenbank
- 64951 · 64951-08-2(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
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-36-22
- hazard_code
- Xi
- safety_code
- 26-36/37/39-22
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenImidazo[1,2-a]pyridine-2-carboxylic acid is an important 2-carboxylic acid derivative of the imidazo[1,2-a]pyridine fused heterocycle. It is primarily used as a key synthetic intermediate. Its carboxylic acid and carboxylate forms can be derivatised via reactive ester coupling, reduction and other methods, and are used to construct Mur ligase inhibitors for antimicrobial applications, as well as drug molecules such as the anti-anxiety agents saripidem and necopidem [5].
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
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