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| CAS No.: | 84689-20-3 |
|---|---|
| Name: | 2-(2,3-Dichlorophenyl)-2-guanidinyliminoacetonitrile |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H7Cl2N5 |
| Molecular Weight: | 256.094 |
| Synonyms: | (2,3-Dichlorophenyl)(guanidinylimino)acetonitrile;N''-[(1Z)-cyano(2,3-dichlorophenyl)methylidene]carbonohydrazonic diamide;(2Z)-2-[cyano(2,3-dichlorophenyl)methylidene]hydrazinecarboximidamide;(Z)-(Cyano(2,3-dichlorophenyl)methylene)carbazamidine;hydrazinecarboximidamide, 2-[cyano(2,3-dichlorophenyl)methylene]-, (2Z)-; |
| EINECS: | 303-725-3 |
| Density: | 1.52 g/cm3 |
| Melting Point: | 176-178 °C |
| Boiling Point: | 445.6 °C at 760 mmHg |
| Flash Point: | 223.3 °C |
| PSA: | 98.05000 |
| LogP: | 2.89508 |
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Specification
The Hydrazinecarboximidamide,2-[cyano(2,3-dichlorophenyl)methylene]-, with the CAS registry number 84689-20-3, has the systematic name of N''-[(1Z)-cyano(2,3-dichlorophenyl)methylidene]carbonohydrazonic diamide. And the molecular formula of the chemical is C9H7Cl2N5.
The characteristics of Hydrazinecarboximidamide,2-[cyano(2,3-dichlorophenyl)methylene]- are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.48; (6)ACD/BCF (pH 7.4): 10.59; (7)ACD/KOC (pH 5.5): 186.58; (8)ACD/KOC (pH 7.4): 188.46; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 62.52 cm3; (15)Molar Volume: 167.4 cm3; (16)Polarizability: 24.78×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 223.3 °C; (20)Enthalpy of Vaporization: 70.36 kJ/mol; (21)Boiling Point: 445.6 °C at 760 mmHg; (22)Vapour Pressure: 3.91E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(C(\C#N)=N\N=C(/N)N)cccc1Cl
(2)InChI: InChI=1/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7+
(3)InChIKey: BXDSJOGMJUKSAE-VIZOYTHABJ