6-fluoro-1H-indazole-3-carboxylic Acid

HCID 10821228

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 129295-30-3
Standard-SMILES: O=C(O)c1n[nH]c2cc(F)ccc12
InChIKey: KNPFUABTEGLQBG-UHFFFAOYSA-N
Summenformel: C8H5FN2O2
Durchschnittliche Molmasse: 180,14 g/mol
Monoisotopische Masse: 180,03350557

Namen und Bezeichner

Bevorzugter Name: 6-fluoro-1H-indazole-3-carboxylic Acid
IUPAC: 6-fluoro-1H-indazole-3-carboxylic acid
Englischer Name: 6-Fluoro-1H-indazole-3-carboxylic acid
Summenformel: C8H5FN2O2
Molmasse: 180.14

Namen und Synonyme

6-fluoro-1H-indazole-3-carboxylic Acid129295-30-3DTXSID90445320RefChem:308346DTXCID90396141802-103-31H-INDAZOLE-3-CARBOXYLIC ACID, 6-FLUORO-MFCD038407136-Fluoro-1H-indazole-3-carboxylicacidAKOS006228327AB16519AC-12211

Weitere Namen anzeigen

6-FLUORO-3-INDAZOLECARBOXYLIC ACID6-Fluoroindazole-3-carboxylic Acid6-fluoro-1H-indazol-3-carboxylic acid

SY2902316-FLUORO-3-(1H)INDAZOLE CARBOXYLIC ACID6-Fluoro-3-indozole-carboxylic acidBB 0261012FT-0761880SCHEMBL2816583STL3021KNPFUABTEGLQBG-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 129295-30-3
PubChem CID: 10821228
DTXSID: DTXSID90445320
EC Number: 802-103-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 66 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 224

Physikochemische Eigenschaften

Siedepunkt: 445.9 · 445.9±25.0 °C(Predicted)
Dichte: 1.61 · 1.610±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 2.86 · 2.86±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.