6-Aminophthalid

6-Aminophthalide

HCID 93631CAS 57319-65-0

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Grundinformationen

Standard-SMILES: Nc1ccc2c(c1)C(=O)OC2
InChIKey: ZIJZDNKZJZUROE-UHFFFAOYSA-N
Summenformel: C8H7NO2
Durchschnittliche Molmasse: 149,15 g/mol
Monoisotopische Masse: 149,04767847

Namen und Bezeichner

Bevorzugter Name: 6-Aminophthalide
IUPAC: 6-amino-3H-2-benzofuran-1-one
Lokaler Name: 6-Aminophthalid
Englischer Name: 6-Aminophthalide
Summenformel: C8H7NO2
Molmasse: 149.15

Namen und Synonyme

6-Aminophthalide57319-65-0BF6HH4UQR9NSC-49585DTXSID40205936RefChem:104211DTXCID70128427260-675-46-aminoisobenzofuran-1(3H)-one6-Amino-1,3-dihydroisobenzofuran-1-one6-Amino-2-benzofuran-1(3H)-one6-amino-3H-2-benzofuran-1-one

Weitere Namen anzeigen

RMA-2836-AminophtalideBUTTPARK 33\04-936-Aminophthalide,95%6-Aminophthalide 97%6-Aminophthalide 97%

6-Amino-3H-isobenzofuran-1-one6-AMINO-1,3-DIHYDRO-2-BENZOFURAN-1-ONEMFCD000335301(3H)-Isobenzofuranone, 6-amino-6-AMINO-1(3H)-ISOBENZOFURANONE5-amino-3-oxo-1,3-dihydroisobenzofuran6-amino-3-hydroisobenzofuran-1-one6-Aminophthalid

Datenbank-Bezeichner

CAS: 57319-65-0
PubChem CID: 93631
DTXSID: DTXSID40205936
ChEBI: CHEBI:194582
UNII: BF6HH4UQR9
EC Number: 260-675-4
Nikkaji: J349.133A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 183 °C · 183 °C
Siedepunkt: 420.2 · 420.2±45.0 °C(Predicted)
Dichte: 1.376 · 1.376±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.88 · 3.88±0.20(Predicted)
Wasserlöslichkeit: 1360 mg/L · Soluble in water 1360 mg/L 25°C.
InChI: InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2
InChIKey: ZIJZDNKZJZUROE-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(N)=C2)CO1
CAS Datenbank: 57319 · 57319-65-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (86.7%): Toxic if swallowed [Danger 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+P316, 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 45 reports by companies from 5 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.