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25939-05-3

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Basic Information
CAS No.: 25939-05-3
Name: N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoylchloride
Article Data: 3
Molecular Structure:
Molecular Structure of 25939-05-3 (N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoylchloride)
Formula: C13H8 Cl4 N2
Molecular Weight: 334.032
Synonyms: Benzoylchloride, (2,4,6-trichlorophenyl)hydrazone (8CI); Benzoyl chloride,2,4,6-trichlorophenylhydrazones (2CI); Banamite; Banomite; U 27415
Density: 1.44g/cm3
Melting Point: 98°C
Boiling Point: 410.5°Cat760mmHg
Flash Point: 202.1°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 24.39000
LogP: 5.73230
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Chemistry

Empirical Formula of Banamite (CAS NO.25939-05-3): C13H8Cl4N2
Molecular Weight: 334.028 g/mol
Index of Refraction: 1.625
Density: 1.44 g/cm3
Flash Point: 202.1 °C
Enthalpy of Vaporization: 66.29 kJ/mol
Boiling Point: 410.5 °C at 760 mmHg
Vapour Pressure: 5.99E-07 mmHg at 25 °C
Structure of Banamite (CAS NO.25939-05-3):
                        
IUPAC Name: (E)-N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride
Canonical SMILES: C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2Cl)Cl)Cl)Cl
Isomeric SMILES: C1=CC=C(C=C1)/C(=N\NC2=C(C=C(C=C2Cl)Cl)Cl)/Cl
InChI: InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H/b19-13+
InChIKey: QVMATSPQIBFRPZ-CPNJWEJPSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:718 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),2417.
2.    

orl-mus LD50:1050 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 6 (1972),2417.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition Banamite (CAS NO.25939-05-3) emits toxic vapors of NOx and Cl−.

Specification

 Banamite , its cas register number is 25939-05-3. It also can be called N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride ; Benzoyl chloride(2,4,6-trichlorophenyl)hydrazone ; and Benzenecarbohydrazonoyl chloride, N-(2,4,6-trichlorophenyl)- .