4-Methylnicotinic acid Hydrochloride

HCID 2796506

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Grundinformationen

CAS: 94015-05-1
Standard-SMILES: Cc1ccncc1C(=O)O.Cl
InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N
Summenformel: C7H8ClNO2
Durchschnittliche Molmasse: 173,6 g/mol
Monoisotopische Masse: 173,0243562

Namen und Bezeichner

Bevorzugter Name: 4-Methylnicotinic acid Hydrochloride
IUPAC: 4-methylpyridine-3-carboxylic acid;hydrochloride
Englischer Name: 4-Methylnicotinic acid hydrochloride
Summenformel: C7H8ClNO2
Molmasse: 173.6

Namen und Synonyme

4-Methylnicotinic acid Hydrochloride94015-05-1DTXSID90383834RefChem:294614DTXCID603348584-methylpyridine-3-carboxylic Acid Hydrochloride4-METHYLNICOTINIC ACID HCLMFCD008327004-methylpyridine-3-carboxylic acid;hydrochlorideSCHEMBL1536025AKOS015844280DS-1807

Weitere Namen anzeigen

4-methylnicotinicacidHCl4-methylpyridine-3-carboxylate4-methylnicotinic acid hydrochlori4-Methylpyridin-3-carboxylic acid HCl4-methylnicotinic acid monohydrochloride4-METHYLNICOTINIC ACID 1.5 HYDROCHLORIDE3-Pyridinecarboxylic acid, 4-Methyl-, hydrochloride

TS-02389CS-00077264-methylnicotinic acid hydrochloride, AldrichCPR4-methylpyridin-1-ium-3-carboxylic acid;chloride4-Methyl-nicotinic acid hydrochlorideFT-0619092orb30305404-MethylnicotinicacidHydrochloride

Datenbank-Bezeichner

CAS: 94015-05-1
PubChem CID: 2796506
DTXSID: DTXSID90383834
EC Number: 677-477-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 241 °C · 241 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
InChI: 1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKey: QNKFCIXWPNMUAH-UHFFFAOYSA-N
SMILES: Cl.Cc1ccncc1C(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 4 reports by companies from 1 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.

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects