CAS No.21743-75-9,1H-Tetrazole-5-acetic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	21743-75-9
Name:	1H-Tetrazole-5-acetic acid
Article Data:	5

Formula:	C₃H₄N₄O₂
Molecular Weight:	128.09
Synonyms:	2-(1H-1,2,3,4-Tetraazol-5-yl)acetic acid;
EINECS:	244-563-2
Density:	1.71 g/cm³
Melting Point:	180-183 °C(lit.)
Boiling Point:	451 °C at 760 mmHg
Flash Point:	226.5 °C
Solubility:	Soluble in water
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	91.76000
LogP:	-1.17320

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Specification

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