1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- supplier

Name
3,6-BIS(4-CHLOROPHENOYL)-1,2-DIHYDRO-1,2,4,5 TETRAZINE
EINECS
CAS No. 53876-70-3
Article Data7
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 252 °C(Solv: 1-butanol (71-36-3))
Formula C₁₄H₁₀Cl₂N₄
Boiling Point 413 °C at 760 mmHg
Molecular Weight 305.166
Flash Point 203.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,2-dihydro- (9CI);3,6-Bis(4-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine;NSC 377131;
PSA 57.36000
LogP 4.33580

1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- Specification

The 1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- is an organic compound with the formula C₁₄H₁₀Cl₂N₄. The IUPAC name of this chemical is 3,6-bis(4-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine. With the CAS registry number 53876-70-3, it is also named as 3,6-bis(4-Chlorophenoyl)-1,2-dihydro-1,2,4,5 tetrazine.

Physical properties about 1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- are: (1)ACD/LogP: 3.08; (2)ACD/LogD (pH 5.5): 3.08; (3)ACD/LogD (pH 7.4): 3.08; (4)ACD/BCF (pH 5.5): 128.71; (5)ACD/BCF (pH 7.4): 128.72; (6)ACD/KOC (pH 5.5): 1126.3; (7)ACD/KOC (pH 7.4): 1126.41; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.2 Å²; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 80.83 cm³; (14)Molar Volume: 209.9 cm³; (15)Polarizability: 32.04×10^-24cm³; (16)Surface Tension: 53.2 dyne/cm; (17)Density: 1.45 g/cm³; (18)Flash Point: 203.6 °C; (19)Enthalpy of Vaporization: 66.57 kJ/mol; (20)Boiling Point: 413 °C at 760 mmHg; (21)Vapour Pressure: 4.98E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(C/1=N/NC(=N\N\1)/c2ccc(Cl)cc2)cc3
(2)InChI: InChI=1/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-17-19-14(20-18-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18)(H,19,20)
(3)InChIKey: ZWCXJQUMYHNLFW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-17-19-14(20-18-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18)(H,19,20)
(5)Std. InChIKey: ZWCXJQUMYHNLFW-UHFFFAOYSA-N

Product Name

3,6-BIS(4-CHLOROPHENOYL)-1,2-DIHYDRO-1,2,4,5 TETRAZINE

1,2,4,5-Tetrazine,3,6-bis(4-chlorophenyl)-1,4-dihydro- Specification

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