Pyridin-N-oxyd-4-carbonsure
4-Pyridinecarboxylic acid, 1-oxide
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Grundinformationen
- CAS
13602-12-5- Standard-SMILES
O=C(O)c1cc[n+]([O-])cc1- InChIKey
QCWTWMJMLSKQCJ-UHFFFAOYSA-N- Summenformel
- C6H5NO3
- Durchschnittliche Molmasse
- 139,11 g/mol
- Monoisotopische Masse
- 139,02694302
Überblick
Isonicotinic acid N-oxide is a member of pyridines and an aromatic carboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- 4-Pyridinecarboxylic acid, 1-oxide
- IUPAC
- 1-oxidopyridin-1-ium-4-carboxylic acid
- Lokaler Name
- Pyridin-N-oxyd-4-carbonsure
- Englischer Name
- Pyridine-4-carboxylic acid N-oxide
- Summenformel
- C6H5NO3
- Molmasse
- 139.11
Namen und Synonyme
4-Pyridinecarboxylic acid 1-oxide4-Pyridinecarboxylic acid, 1-oxidePyridin-N-oxide-4-carboxylic acidEINECS 237-086-6NSC 63044DTXSID6065557RefChem:526632DTXCID5034355237-086-613602-12-5ISONICOTINIC ACID N-OXIDEPyridine-4-carboxylic Acid N-Oxide
Weitere Namen anzeigen
RARECHEM AL BO 1255Tuobisite Impurity 114-Carboxypyridine N-oxideisonicotinic-N-oxide acidIsonicotinicAcidN-Oxide>Isonicotinic acid N-oxide,99%Isonicotinic acid N-oxide 99%
4-Carboxypyridine 1-oxide4-carboxypyridin-1-ium-1-olateIsonicotinic acid 1-oxide1-oxidopyridin-1-ium-4-carboxylic acidC6H5NO3MFCD000062091-hydroxypyridine-4-carboxylic acid4-Carboxypyridine1-oxide
Datenbank-Bezeichner
- CAS
13602-12-5- PubChem CID
- 26130
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 62,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 129
Physikochemische Eigenschaften
- Schmelzpunkt
- 270 · 270-271 °C(lit.)
- Siedepunkt
- 255.04 °C · 255.04°C (rough estimate)
- Dichte
- 1.4429 · 1.4429 (rough estimate)
- Brechungsindex
- 1.5423 · 1.5423 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.66 · 3.66±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light red
- BRN
- 119571 · 119571
- InChI
- InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)
- InChIKey
- QCWTWMJMLSKQCJ-UHFFFAOYSA-N
- SMILES
- C1[N+]([O-])=CC=C(C(O)=O)C=1
- LogP
- -1.52 · -1.520 (est)
- CAS Datenbank
- 13602 · 13602-12-5(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4-Pyridinecarboxylic acid 1-oxide (13602-12-5)
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
This chemical does not meet GHS hazard criteria for 32.8% (22 of 67) of reports.
Warning
H315 (67.2%): Causes skin irritation [Warning Skin corrosion/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 67 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationIsonicotinic Acid-N-Oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (67.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information4-Pyridinecarboxylic acid, 1-oxide: ACTIVE
Anwendungen
VerwendenIsonicotinic acid N-oxide was used in the synthesis of three-dimensional coordination polymers based on inorganic lanthanide(II) sulfate skeletons.
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