Grundinformationen
- Standard-SMILES
Cc1cc(C(=O)O)ccn1- InChIKey
PMDHIMMPXRSDML-UHFFFAOYSA-N- Summenformel
- C7H7NO2
- Durchschnittliche Molmasse
- 137,14 g/mol
- Monoisotopische Masse
- 137,04767846
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylpyridine-4-carboxylic acid
- IUPAC
- 2-methylpyridine-4-carboxylic acid
- Englischer Name
- 2-Methylisonicotinic acid
- Summenformel
- C7H7NO2
- Molmasse
- 137.14
Namen und Synonyme
4021-11-82-methylpyridine-4-carboxylic acidDTXSID30376482RefChem:263980DTXCID30327510628-206-12-methylisonicotinic acid2-methyl-4-pyridinecarboxylic acid2-Methyl-isonicotinic acidMFCD00513435Oprea1_070862SCHEMBL353289
Weitere Namen anzeigen
4021/11/8METHYLISONICOTINIC ACID(2-)pyridine-4-carboxyL2-Methyl-4-carboxylpyridine2-Methylisonicotinic Acid >2-Methylpyridine-4-carboxylicaci2-Methylpyridine-4-carboxylic acid 97%
STK367169AKOS005206893EG-07142-Methylpyridine-4-carboxylic acid, 97%EN300-853234-Pyridinecarboxylic acid, 2-methyl-2-MethylisonicotinicAcidSCHEMBL7673087
Datenbank-Bezeichner
- CAS
4021-11-8- PubChem CID
- 2762821
- DTXSID
DTXSID30376482- EC Number
- 628-206-1
- Nikkaji
- J2.362.572E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 50,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 136
Physikochemische Eigenschaften
- Schmelzpunkt
- 295 · 295-299 °C (D)
- Siedepunkt
- 368.2 · 368.2±22.0 °C(Predicted)
- Dichte
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 2.02 · 2.02±0.10(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)
- InChIKey
- PMDHIMMPXRSDML-UHFFFAOYSA-N
- SMILES
- C1(C)=NC=CC(C(O)=O)=C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.8%): 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 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Methylpyridine-4-carboxylic acid is an important raw material and intermediate used in pharmaceuticals, agrochemicals and dyestuff.
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