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Basic Information
CAS No.: 700-02-7
Name: ADENINE N(1)-OXIDE MONOHYDRATE, 98
Article Data: 11
Molecular Structure:
Molecular Structure of 700-02-7 (ADENINE N(1)-OXIDE MONOHYDRATE, 98)
Formula: C5H5 N5 O
Molecular Weight: 151.128
Synonyms: 3H-Purin-6-amine,1-oxide (9CI); Adenine, 1-oxide (6CI,7CI,8CI); Adenine N1-oxide; NSC 110037
Density: 2.018g/cm3
Melting Point: 302°C (rough estimate)
Boiling Point: 721.524°C at 760 mmHg
Flash Point: 390.164°C
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 93.05000
LogP: 0.54980
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Chemistry

Molecular Structure of Adenine-1-n-oxide (CAS NO.700-02-7):

IUPAC Nzme: 1-hydroxypurin-6-amine
Empirical Formula: C5H5N5O 
Molecular Weight: 151.1261 
Index of Refraction: 1.957 
Surface Tension: 112.6 dyne/cm
Density: 2.01 g/cm3 
Flash Point: 142.5 °C
Enthalpy of Vaporization: 64.12 kJ/mol 
Boiling Point: 312.1 °C at 760 mmHg
Vapour Pressure: 4.78E-05 mmHg at 25°C 
Synonyms of Adenine-1-n-oxide (CAS NO.700-02-7): Adenine-n1-oxide ; Adenine n(1)-oxide monohydrate, 98;adenine1-n-oxide ; adenine1-oxide;adenine-n-oxide ; Adenine N(1)-oxide monohydrate ; adenine N(sup 1)-oxide ; 6-Amino-9H-purine 1-oxide

Toxicity Data With Reference

1.    

scu-rat TDLo:1300 mg/kg/26W-I:NEO

     CNREA8    Cancer Research. 30 (1970),184.

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx.

S22:Do not inhale dust.;
S24/25:Avoid contact with skin and eyes.;

 

Specification

 Adenine-1-n-oxide (CAS NO.700-02-7) is moderately toxic product, flammable, while burning it would make out the toxic fumes of nitrogen oxides, and should be kept in ventilated, low-temperature, dry environment, in addition to food and raw materials should be kept separate, dry powder, foam, sand, carbon dioxide, water mist fire-extinguishing agent can be used if an emergency situation.