CAS
136160-32-2 Purity
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136160-32-2 Purity
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![Thiazolium,3-[(3,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-](https://resource.alfa-chemistry.com/structure/136-16-3.gif)
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2H-Tetrazole-5-aceticacid,ethyl ester
CAS
13616-37-0
Catalog Number
ACM13616370
Category
Other Products
Molecular Weight
156.14
Molecular Formula
C5H8N4O2
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Specification
Synonyms
Ethyl 1H-tetrazole-5-acetate, 13616-37-0, ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE, ethyl 2-(1H-1,2,3,4-tetraazol-5-yl)acetate, ZERO/001460, AC1LBWIJ, ACMC-1BOKY, Maybridge1_007787, ACMC-209c5b, SureCN443306, AC1Q34QG, AC1Q34QO, AC1Q34QP, SureCN1781507, TimTec1_002720, MLS001018103, ethyl 1H-tetrazol-5-ylacetate, ethyl 2H-tetrazol-5-ylacetate, 436917_ALDRICH, CTK4C0203
IUPAC Name
ethyl 2-(2H-tetrazol-5-yl)acetate
Canonical SMILES
CCOC(=O)CC1=NNN=N1
InChI Key
NAOHMNNTUFFTBF-UHFFFAOYSA-N
Boiling Point
312.3ºC at 760mmHg
Melting Point
123-127ºC(lit.)
Flash Point
142.7ºC
Density
1.337g/cm³
Exact Mass
156.06500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
26-36
Upstream Synthesis Route 1
- 105-56-6
- 13616-37-0
Reference: [1] New Journal of Chemistry, 2013, vol. 37, # 10, p. 3261 - 3266
Upstream Synthesis Route 2
- 123-91-1
- 105-56-6
- 13616-37-0
Reference: [1] Patent: US5461049, 1995, A,
Upstream Synthesis Route 3
- 105-56-6
- 13616-37-0
Reference: [1]New Journal of Chemistry,2013,vol. 37,p. 3261 - 3266
Downstream Synthesis Route 1
- 186581-53-3
- 13616-37-0
- 5932-27-4
Reference: [1] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 9, p. 1131 - 1139
Downstream Synthesis Route 2
- 4570-41-6
- 13616-37-0
- 122-51-0
- 84731-12-4
Reference: [1]Journal of Medicinal Chemistry,1983,vol. 26,p. 608 - 611
Downstream Synthesis Route 3
- 3587-60-8
- 13616-37-0
- 88669-78-7
- 88669-73-2
Reference: [1]Journal of the American Chemical Society,1984,vol. 106,p. 1808 - 1811
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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