6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

HCID 2779901CAS 321309-28-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(O)c1cc(F)cc2c1OCOC2
InChIKey: HWBALMSPYAUMMB-UHFFFAOYSA-N
Summenformel: C9H7FO4
Durchschnittliche Molmasse: 198,15 g/mol
Monoisotopische Masse: 198,03283686

Namen und Bezeichner

Bevorzugter Name: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
IUPAC: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Englischer Name: 6-Fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Summenformel: C9H7FO4
Molmasse: 198.15

Namen und Synonyme

321309-28-86-fluoro-4H-1,3-benzodioxine-8-carboxylic acidDTXSID50381593RefChem:543210DTXCID20332618639-390-86-Fluoro-4H-benzo[1,3]dioxine-8-carboxylic acid6-Fluoro-4H-benzo[d][1,3]dioxine-8-carboxylic acidMFCD026819816-fluoro-2,4-dihydro-1,3-benzodioxine-8-carboxylic acidSDCCGMLS-0065923.P001SCHEMBL643308

Weitere Namen anzeigen

RARECHEM AL BE 13118-Carboxy-6-fluoro-4H-1,3-benzodioxine6-FLUORO-1,3-BENZODIOXENE-8-CARBOXYLIC ACID6-fluoro-4H-1,3-benzodioxin-8-carboxylic acid4H-1,3-Benzodioxin-8-carboxylic acid, 6-fluoro-

SCHEMBL31258843HWBALMSPYAUMMB-UHFFFAOYSA-NSBB092264AKOS006229969AS-5209CS-0314919F0474406-Fluoro-2H,4H-1,3-benzodioxine-8-carboxylic acid

Datenbank-Bezeichner

CAS: 321309-28-8
PubChem CID: 2779901
DTXSID: DTXSID50381593
EC Number: 639-390-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Schmelzpunkt: 180 °C · 180 °C
Siedepunkt: 180 · 180-182
Dichte: 1.466 · 1.466±0.06 g/cm3(Predicted)
pka: 3.33 · 3.33±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.