2-Methyl-2H-indazole-3-carboxylic acid

HCID 7060537CAS 34252-44-3

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Grundinformationen

Standard-SMILES: Cn1nc2ccccc2c1C(=O)O
InChIKey: ABRISPFTOZIXMP-UHFFFAOYSA-N
Summenformel: C9H8N2O2
Durchschnittliche Molmasse: 176,17 g/mol
Monoisotopische Masse: 176,0585775

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-2H-indazole-3-carboxylic acid
IUPAC: 2-methylindazole-3-carboxylic acid
Englischer Name: GRANISETRON-D3
Summenformel: C9H8N2O2
Molmasse: 176.17

Namen und Synonyme

2-Methyl-2H-indazole-3-carboxylic acid34252-44-3DTXSID30427620RefChem:263185DTXCID60378454691-338-32-methylindazole-3-carboxylic AcidGranisetron EP Impurity GMFCD073685562H-Indazole-3-carboxylic acid, 2-methyl-Granisetron Hydrochloride Imp. G (EP); Granisetron Imp. G (EP); 2-Methyl-2H-indazole-3-carboxylic Acid; Granisetron Hydrochloride Impurity G; Granisetron Impurity G2-METHYL-2H-INDAZOLE-3-CARBOXYLICACID

Weitere Namen anzeigen

Granisetron ImpurityCl3-Carboxy-2-methyl-2H-indazole2-Methylindazole-3-carboxylicAci2-Methyl-2H-indazole-3-carboxylic AGranisetron Hydrochloride Impurity G2H-Indazole-3-carboxylic acid,2-methyl-Granisetron Hydrochloride EP Impurity G

Granisetron Imp. G (EP)7F74Q4NXW7orb2695754SCHEMBL1563562ABRISPFTOZIXMP-UHFFFAOYSA-NFr21265SBB089157AKOS006346248

Datenbank-Bezeichner

CAS: 34252-44-3
PubChem CID: 7060537
DTXSID: DTXSID30427620
UNII: 7F74Q4NXW7
EC Number: 691-338-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

Schmelzpunkt: 217 · 217-219
Siedepunkt: 417.4 · 417.4±18.0 °C(Predicted)
Dichte: 1.35 · 1.35
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.02 · 3.02±0.10(Predicted)
Farbe: White to Off-White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

Sicherheitsdaten

ridadr: 2811
hs_code: 29339900
risk_code: 22-36-36/37/38-20/21/22
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36/37/39-22

Chemie und Industrie

Anwendungen

Verwenden2-Methyl-2H-indazole-3-carboxylic acid can be used as a reagent used to synthesize 5-HT2A and 5-HT3 receptor ligands for use in treating CNS-related disorders.