1H-Tetrazole-5-acetic acid - CAS 21743-75-9

Catalog:	BB017128
Product Name:	1H-Tetrazole-5-acetic acid
CAS:	21743-75-9
Synonyms:	2-(2H-tetrazol-5-yl)acetic acid

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	2-(2H-tetrazol-5-yl)acetic acid
Description:	1H-Tetrazole-5-acetic acid (CAS# 21743-75-9) is a useful research chemical.
Molecular Weight:	128.09
Molecular Formula:	C3H4N4O2
Canonical SMILES:	C(C1=NNN=N1)C(=O)O
InChI:	InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
InChI Key:	JUNAPQMUUHSYOV-UHFFFAOYSA-N
Boiling Point:	451 °C at 760 mmHg
Density:	1.71 g/cm³
Appearance:	White powder
MDL:	MFCD03094010
LogP:	-1.17320

Publication Number	Title	Priority Date
CN-112899666-A	Chemical copper plating brightener and preparation method thereof	20210119
CN-112300001-A	Production method for co-production of ethyl chloroformate and ethyl chloride	20201110
CN-112159399-A	Preparation method of lactam ring-opening decarboxylation azolin impurity	20201106
CN-112174984-A	Preparation method of ceftezole acid and sodium salt thereof	20201027
CN-111848535-A	Process for synthesizing 1H-tetrazole acetic acid	20200724

PMID	Publication Date	Title	Journal
18379682	20080421	Pressure effects and Mössbauer spectroscopic studies on a 3D mixed-valence iron spin-crossover complex with NiAs topology	Chemical communications (Cambridge, England)

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.03342538
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.03342538
Rotatable Bond Count:	2
Topological Polar Surface Area:	91.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1