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347840-12-4

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Basic Information
CAS No.: 347840-12-4
Name: 1-CHLORO-2,4-DINITROBENZENE-3,5,6-D3
Molecular Structure:
Molecular Structure of 347840-12-4 (1-CHLORO-2,4-DINITROBENZENE-3,5,6-D3)
Formula: C6ClD3N2O4
Molecular Weight: 205.57
Synonyms: 1-Chloro-2,4-dinitrobenzene-3,5,6-d3;
Density: 1.644 g/cm3
Boiling Point: 314.999 °C at 760 mmHg
Flash Point: 140.458 °C
PSA: 91.64000
LogP: 3.20280
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    Benzene-1,2,4-d3,6-chloro-3,5-dinitro- (9CI)

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  • Benzene-1,2,4-d<sub>3</sub>,6-chloro-3,5-dinitro- (9CI)

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    Benzene-1,2,4-d3,6-chloro-3,5-dinitro- (9CI)

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  • Benzene-1,2,4-d<sub>3</sub>,6-chloro-3,5-dinitro- (9CI)

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    Benzene-1,2,4-d3,6-chloro-3,5-dinitro- (9CI)

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  • 1-CHLORO-2,4-DINITROBENZENE-3,5,6-D3

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    347840-12-4

    1-CHLORO-2,4-DINITROBENZENE-3,5,6-D3

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Specification

The Benzene-1, 2, 4-d3, 6-chloro-3, 5-dinitro- (9CI), with the CAS registry number 347840-12-4, is also known as 1-Chloro-2, 4-dinitrobenzene-3, 5, 6-d3. This chemical's molecular formula is C6ClD3N2O4 and molecular weight is 205.57. What's more, its systematic name is 1-Chloro-2, 4-dinitro(2H3)benzene.

Physical properties about Benzene-1, 2, 4-d3, 6-chloro-3, 5-dinitro- (9CI) are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.049; (4)ACD/LogD (pH 7.4): 2.049; (5)ACD/BCF (pH 5.5): 21.247; (6)ACD/BCF (pH 7.4): 21.247; (7)ACD/KOC (pH 5.5): 310.241; (8)ACD/KOC (pH 7.4): 310.241; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 44.239 cm3; (15)Molar Volume: 125.067 cm3; (16)Polarizability: 17.538×10-24 cm3; (17)Surface Tension: 64.265 dyne/cm; (18)Density: 1.644 g/cm3; (19)Flash Point: 140.458 °C; (20)Enthalpy of Vaporization: 53.404 kJ/mol; (21)Boiling Point: 314.999 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c(c(c(c1[N+](=O)[O-])[2H])[N+](=O)[O-])Cl)[2H]
(2) InChI: InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H/i1D,2D,3D
(3) InChIKey: VYZAHLCBVHPDDF-CBYSEHNBEY