Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2H-Tetrazole,5-(1H-pyrrol-2-yl)- |
EINECS | N/A |
CAS No. | 31602-66-1 | Density | 1.484 g/cm3 |
PSA | 70.25000 | LogP | 0.19480 |
Solubility | N/A | Melting Point |
224-226 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7)) |
Formula | C5H5N5 | Boiling Point | 430.957 °C at 760 mmHg |
Molecular Weight | 135.128 | Flash Point | 225.636 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(1H-Pyrrol-2-yl)-1H-tetrazole; |
Article Data | 11 |
The 2H-Tetrazole,5-(1H-pyrrol-2-yl)-, with the CAS registry number of 31602-66-1, is also known as 5-(1H-Pyrrol-2-yl)-1H-tetrazole. Its molecular formula is C5H5N5 and molecular weight is 135.13. What's more, its IUPAC name is (5Z)-5-Pyrrol-2-ylidene-1,2-dihydrotetrazole.
Physical properties about the 2H-Tetrazole,5-(1H-pyrrol-2-yl)- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.518; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 70.25 Å2; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 33.985 cm3; (13)Molar Volume: 91.034 cm3; (14)Surface Tension: 92.455 dyne/cm; (15)Density: 1.484 g/cm3; (16)Flash Point: 225.636 °C; (17)Enthalpy of Vaporization: 68.65 kJ/mol; (18)Boiling Point: 430.957 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc([nH]c1)c2[nH]nnn2
(2) InChI: InChI=1/C5H5N5/c1-2-4(6-3-1)5-7-9-10-8-5/h1-3,6H,(H,7,8,9,10)
(3) InChIKey: GFRUZMPMDDEEMB-UHFFFAOYAW