7-Nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

HCID 12464533

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Grundinformationen

CAS: 66410-87-5
Standard-SMILES: O=C(O)c1cc([N+](=O)[O-])cc2c1OCCO2
InChIKey: AVKRNLXCZBBZMD-UHFFFAOYSA-N
Summenformel: C9H7NO6
Durchschnittliche Molmasse: 225,15 g/mol
Monoisotopische Masse: 225,02733694

Namen und Bezeichner

Bevorzugter Name: 7-Nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
IUPAC: 7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Englischer Name: 7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Summenformel: C9H7NO6
Molmasse: 225.15

Namen und Synonyme

7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid66410-87-5SCHEMBL4179993AVKRNLXCZBBZMD-UHFFFAOYSA-NRCA41087AKOS0098480677-nitro-1,4-benzodioxane-5-carboxylic acidEN300-66425G262377-Nitro-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylicacidZ445135168

Weitere Namen anzeigen

1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-7-nitro-

Datenbank-Bezeichner

CAS: 66410-87-5
PubChem CID: 12464533
EC Number: 154-572-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 102 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 301

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.