Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Tetrazole-5-acetic acid |
EINECS | 244-563-2 |
CAS No. | 21743-75-9 | Density | 1.71 g/cm3 |
PSA | 91.76000 | LogP | -1.17320 |
Solubility | Soluble in water | Melting Point |
180-183 °C(lit.) |
Formula | C3H4N4O2 | Boiling Point | 451 °C at 760 mmHg |
Molecular Weight | 128.09 | Flash Point | 226.5 °C |
Transport Information | N/A | Appearance | White crystalline powder |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(1H-1,2,3,4-Tetraazol-5-yl)acetic acid; |
Article Data | 5 |
The 2H-Tetrazole-5-aceticacid, with the CAS registry number of 21743-75-9, is also known as 2-(1H-1,2,3,4-Tetraazol-5-yl)acetic acid. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Tetrazoles. Its EINECS registry number is 244-563-2. This chemical's molecular formula is C3H4N4O2 and molecular weight is 128.09. What's more, its IUPAC name is 2-(2H-Tetrazol-5-yl)acetic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the 2H-Tetrazole-5-aceticacid are: (1)ACD/LogP: -1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.91; (4)ACD/LogD (pH 7.4): -6.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.9 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 26.07 cm3; (15)Molar Volume: 74.8 cm3; (16)Surface Tension: 119.8 dyne/cm; (17)Density: 1.71 g/cm3; (18)Flash Point: 226.5 °C; (19)Enthalpy of Vaporization: 74.81 kJ/mol; (20)Boiling Point: 451 °C at 760 mmHg; (21)Vapour Pressure: 6.4E-09 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc1nnnn1
(2) InChI: InChI=1/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
(3) InChIKey: JUNAPQMUUHSYOV-UHFFFAOYAY