3-Pyridinecarboxaldehyde, 2-amino-
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Grundinformationen
- CAS
7521-41-7- Standard-SMILES
Nc1ncccc1C=O- InChIKey
NXMFJCRMSDRXLD-UHFFFAOYSA-N- Summenformel
- C6H6N2O
- Durchschnittliche Molmasse
- 122,12 g/mol
- Monoisotopische Masse
- 122,04801282
Namen und Bezeichner
- Bevorzugter Name
- 3-Pyridinecarboxaldehyde, 2-amino-
- IUPAC
- 2-aminopyridine-3-carbaldehyde
- Englischer Name
- 2-Amino-3-pyridinecarboxaldehyde
- Summenformel
- C6H6N2O
- Molmasse
- 122.12
Namen und Synonyme
7521-41-72-Amino-3-pyridinecarboxaldehyde3-Pyridinecarboxaldehyde, 2-amino-DTXSID20226184RefChem:95394DTXCID20148675NXMFJCRMSDRXLD-UHFFFAOYSA-N2-Aminonicotinaldehyde2-aminopyridine-3-carbaldehyde2-Amino-3-formylpyridine2-Aminopyridine-3-carboxaldehyde2-amino-pyridine-3-carbaldehyde
Weitere Namen anzeigen
3-formylpyridin-2-amine2-aminonicotinaldehyde 12-Aminonicotinaldehyde 99%2-Aminonicotinaldehyde >2-Aminopyridine-3-carboxaL2-AMINO-PYRIDIN-3-CARBALDEHYDE
MFCD018303822-Amino-3-pyridine carboxaldehyde2-amino nicotinaldehyde2-amino-3 formylpyridine2-amino-3-formyl-pyridineSCHEMBL120361orb2940100SCHEMBL5394033
Datenbank-Bezeichner
- CAS
7521-41-7- PubChem CID
- 737633
- DTXSID
DTXSID20226184- EC Number
- 626-730-5
- Nikkaji
- J886.528K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 56 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 105
Physikochemische Eigenschaften
- Schmelzpunkt
- 98 · 98-102 °C (lit.)
- Siedepunkt
- 290.7 · 290.7±25.0 °C(Predicted)
- Dichte
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- Flammpunkt
- 300 ℃ · >300℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in Ether, Ethyl acetate, Chloroform (Slightly), Methanol (Slightly)
- pka
- 4.99 · 4.99±0.36(Predicted)
- Aggregatzustand
- Powder, Crystals and/or Chunks
- Farbe
- Yellow to light brown
- Wasserlöslichkeit
- insoluble
- BRN
- 109598 · 109598
- InChI
- InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)
- InChIKey
- NXMFJCRMSDRXLD-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC=C1C=O
- CAS Datenbank
- 7521 · 7521-41-7(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 (98%): 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 50 reports by companies from 10 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 (98%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Darstellung
synthetischePreparative Methods of 2-Amino-3-pyridinecarboxaldehyde: the reagent is best when freshly prepared. A multistep procedure starting from 2-amino-3- picoline has been improved upon by a simple two-step approach. Sulfamation of nicotinamide with ammonium sulfamate (both commercially available) provides 2-(3′-pyridyl)pyrido[2,3-d]pyridimine which may be hydrolyzed in 2 N HCl to provide the reagent (eq 1)[1]. Substituted derivatives of the reagent may be prepared via a similar intermediate.
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