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| CAS No.: | 17672-27-4 |
|---|---|
| Name: | 4-hydrazinylbenzonitrile |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H7N3 |
| Molecular Weight: | 133.153 |
| Synonyms: | Benzonitrile,4-hydrazino- (9CI);Benzonitrile, p-hydrazino- (8CI);(4-Cyanophenyl)hydrazine;(p-Cyanophenyl)hydrazine;4-Hydrazinobenzonitrile; |
| Density: | 1.19g/cm3 |
| Melting Point: | 91-93 °C |
| Boiling Point: | 325.9 °C at 760 mmHg |
| Flash Point: | 150.9 °C |
| PSA: | 61.84000 |
| LogP: | 1.61718 |
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- Total:19 Page 1 of 1 1
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Specification
The 4-Hydrazinobenzonitrile, with CAS registry number 17672-27-4, has the systematic name of 4-hydrazinylbenzonitrile. And it is also called benzonitrile, 4-hydrazinyl-.
Physical properties about this chemical are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.46; (6)ACD/BCF (pH 7.4): 4.64; (7)ACD/KOC (pH 5.5): 100.32; (8)ACD/KOC (pH 7.4): 104.36; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.27 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 38.58 cm3; (15)Molar Volume: 111.3 cm3; (16)Polarizability: 15.29×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Enthalpy of Vaporization: 56.81 kJ/mol; (19)Vapour Pressure: 0.000223 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(NN)cc1
(2)InChI: InChI=1/C7H7N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4,10H,9H2
(3)InChIKey: DZUUSHCOMPROCJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H7N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4,10H,9H2
(5)Std. InChIKey: DZUUSHCOMPROCJ-UHFFFAOYSA-N