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34938-47-1

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Basic Information
CAS No.: 34938-47-1
Name: 2-(phenylazo)-1H-imidazole
Article Data: 11
Molecular Structure:
Molecular Structure of 34938-47-1 (2-(phenylazo)-1H-imidazole)
Formula: C9H8N4
Molecular Weight: 172.189
Synonyms: 1H-Imidazole,2-(phenylazo)- (9CI);2-(Phenylazo)imidazole;
EINECS: 252-298-9
Density: 1.23 g/cm3
Boiling Point: 349.7 °C at 760 mmHg
Flash Point: 165.3 °C
PSA: 49.11000
LogP: 0.46890
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Specification

The 1H-Imidazole,2-(2-phenyldiazenyl)-, with the CAS registry number 34938-47-1, is also known as 2-(Phenylazo)imidazole. Its EINECS registry number is 252-298-9. This chemical's molecular formula is C9H8N4and molecular weight is 172.18662. What's more, its systematic name is 1H-Imidazol-2-yl-phenyl-diazene.

Physical properties about 1H-Imidazole,2-(2-phenyldiazenyl)-: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.49; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 53.4 Å2; (9)Index of Refraction: 1.655; (10)Molar Refractivity: 51.13 cm3; (11)Molar Volume: 139.2 cm3; (12)Surface Tension: 50.5 dyne/cm; (13)Density: 1.23 g/cm3; (14)Flash Point: 165.3 °C; (15)Enthalpy of Vaporization: 9.42 kJ/mol; (16)Boiling Point: 349.7 °C at 760 mmHg; (17)Vapour Pressure: 4.63E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccccc1N=Nc2nccn2
(2) InChI: InChI=1/C9H8N4/c1-2-4-8(5-3-1)12-13-9-10-6-7-11-9/h1-7H,(H,10,11)
(3) InChIKey: IWKTVWFSQDLTHC-UHFFFAOYAI