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1497-16-1

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Basic Information
CAS No.: 1497-16-1
Name: 6-Azaspiro[3.4]octane-5,7-dione
Molecular Structure:
Molecular Structure of 1497-16-1 (6-Azaspiro[3.4]octane-5,7-dione)
Formula: C7H9 N O2
Molecular Weight: 139.154
Synonyms: 6-azaspiro[3.4]octane-5,7-dione
Density: 1.27g/cm3
Boiling Point: 333.6°C at 760 mmHg
Flash Point: 168.6°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 49.66000
LogP: 0.47910
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Chemistry

IUPAC Name: 7-azaspiro[3.4]octane-6,8-dione 
Empirical Formula: C7H9NO2
Molecular Weight: 139.1519g/mol
Structure of 6-Azaspiro(3.4)octane-5,7-dione (CAS NO.1497-16-1):

Index of Refraction: 1.538
Molar Refractivity: 34.25 cm3
Molar Volume: 109.4 cm3
Polarizability: 13.58×10-24cm3
Surface Tension: 46.7 dyne/cm
Density: 1.27 g/cm3
Flash Point: 168.6 °C
Enthalpy of Vaporization: 57.65 kJ/mol
Boiling Point: 333.6 °C at 760 mmHg
Vapour Pressure: 0.000135 mmHg at 25°C 
Canonical SMILES: C1CC2(C1)CC(=O)NC2=O
InChI: InChI=1S/C7H9NO2/c9-5-4-7(2-1-3-7)6(10)8-5/h1-4H2,(H,8,9,10)
InChIKey: JIGMIHMXIINUHH-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:1750 mg/kg

     BSCFAS    Bulletin de la Societe Chimique de France. 3 (1966),1119.
2.    

ipr-mus LD50:1450 mg/kg

     BSCFAS    Bulletin de la Societe Chimique de France. 3 (1966),1119.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

  6-Azaspiro(3.4)octane-5,7-dione , its cas register number is 1497-16-1. It also can be called 5-21-10-00068 (Beilstein Handbook Reference) ; Aza-6-spiro(3,4)octane-dione-5,7 ; BRN 1525974 ; EINECS 216-090-1 ; LD 4070 . And 6-Azaspiro(3.4)octane-5,7-dione (CAS NO.1497-16-1) is moderate toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. The storage environment should be ventilate, low-temperature and dry.