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1912-25-0

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Basic Information
CAS No.: 1912-25-0
Name: 2-(N,N-diethylamino)-4-(-N-isopropylamino)-6-chloro-1,3,5-triazine
Molecular Structure:
Molecular Structure of 1912-25-0 (2-(N,N-diethylamino)-4-(-N-isopropylamino)-6-chloro-1,3,5-triazine)
Formula: C10H18 Cl N5
Molecular Weight: 243.739
Synonyms: 1,3,5-Triazine-2,4-diamine,6-chloro-N,N-diethyl-N'-(1-methylethyl)- (9CI); s-Triazine, 2-chloro-4-(diethylamino)-6-(isopropylamino)-(6CI,8CI); 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine;2-Chloro-4-isopropylamino-6-diethylamino-1,3,5-triazine; G 30031; Geigy 30,031;Gesabal; Heptazine; Ipazine; Isodiazine; NSC 163047
Density: 1.189g/cm3
Boiling Point: 380°Cat760mmHg
Flash Point: 183.6°C
Solubility: 40mg/L(21 oC)
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 53.94000
LogP: 2.26450
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Chemistry

Molecule structure of Isodiazine (CAS NO.1912-25-0) :

IUPAC Name: 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine 
Molecular Weight: 243.73642 g/mol
Molecular Formula: C10H18ClN5 
Density: 1.189 g/cm3 
Boiling Point: 380 °C at 760 mmHg 
Flash Point: 183.6 °C
Index of Refraction: 1.576
Molar Refractivity: 67.83 cm3
Molar Volume: 204.9 cm3
Polarizability: 26.89×10-24 cm3
Surface Tension: 49.3 dyne/cm
Enthalpy of Vaporization: 62.81 kJ/mol
Vapour Pressure: 5.63E-06 mmHg at 25 °C
XLogP3: 3.8
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Tautomer Count: 4
Exact Mass: 243.125073
MonoIsotopic Mass: 243.125073
Topological Polar Surface Area: 53.9
Heavy Atom Count: 16
Complexity: 198
Canonical SMILES: CCN(CC)C1=NC(=NC(=N1)NC(C)C)Cl
InChI: InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKey: OWYWGLHRNBIFJP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1700 mg/kg

     85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,36.
2.    

orl-mus LD50:2300 mg/kg

     85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,36.
3.    

orl-cat LD50:1300 mg/kg

     85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,36.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

 Isodiazine (CAS NO.1912-25-0) is also called 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine ; AI3-60362 ; BRN 0655694 ; Caswell No. 187B ; EPA Pesticide Chemical Code 263300 ; G 30031 ; Geigy ; Gesabal ; Heptazine ; Ipazine ; NSC 163047 ; 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-diethyl-N'-(1-methylethyl)- 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-diethyl-N'-(1-methylethyl)- (9CI) ; s-Triazine, 2-chloro-4-(diethylamino)-6-(isopropylamino)- . Isodiazine (CAS NO.1912-25-0) is moderate toxic. It will produce toxic chloride and nitrogen oxide gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Isodiazine (CAS NO.1912-25-0) separate from raw materials of food.