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62973-76-6

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Basic Information
CAS No.: 62973-76-6
Name: Azanidazole
Molecular Structure:
Molecular Structure of 62973-76-6 (Azanidazole)
Formula: C10H10 N6 O2
Molecular Weight: 246.228
Synonyms: 2-Pyrimidinamine,4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-, (E)-; Azanidazole; F 4;Nitromidine; Triclose
Density: 1.51g/cm3
Melting Point: 232-235°
Boiling Point: 603°C at 760 mmHg
Flash Point: 318.5°C
Safety: Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 116.17000
LogP: 1.32420
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Chemistry

Product Name: Triclose (CAS NO.62973-76-6)


Molecular Formula: C10H10N6O2
Molecular Weight: 246.26g/mol
Mol File: 62973-76-6.mol
Appearance: Bright-yellow powder
Melting Point: 232–235°
Boiling point: 603 °C at 760 mmHg
Flash Point: 318.5 °C
Density: 1.51 g/cm3
Surface Tension: 69 dyne/cm
Enthalpy of Vaporization: 89.7 kJ/mol
Vapour Pressure: 1.71E-14 mmHg at 25°C
XLogP3-AA: -0.8
H-Bond Donor: 1
H-Bond Acceptor: 6

Toxicity Data With Reference

1.    

mmo-sat 18 µmol/L

     TCMUD8    Teratogenesis, Carcinogenesis, and Mutagenesis. 3 (1983),51.
2.    

orl-rat LD50:7600 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),2251.
3.    

ipr-rat LD50:860 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),2251.
4.    

orl-mus LD50:5100 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),2251.
5.    

ipr-mus LD50:590 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),2251.

Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Triclose ,its CAS NO. is 62973-76-6,the synonyms is (E)-2-Amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine ; 2-Pyrimidinamine, 4-(2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl)-, (E)- ; 4-((E)-2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-aethenyl)-2-pyrimidinamin ; Azanidazol ; BRN 4495385 ; Nitromidine ; Pyrimidine, 2-amino-4-((E)-2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl)- .