3-chloro-1,2,4-triazole - CAS 6818-99-1
Catalog: |
BB033491 |
Product Name: |
3-chloro-1,2,4-triazole |
CAS: |
6818-99-1 |
Synonyms: |
5-chloro-1H-1,2,4-triazole; 5-chloro-1H-1,2,4-triazole |
IUPAC Name: | 5-chloro-1H-1,2,4-triazole |
Description: | 3-chloro-1,2,4-triazole (CAS# 6818-99-1) is a useful research chemical. |
Molecular Weight: | 103.51 |
Molecular Formula: | C2H2ClN3 |
Canonical SMILES: | C1=NNC(=N1)Cl |
InChI: | InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6) |
InChI Key: | QGOUKZPSCTVYLX-UHFFFAOYSA-N |
Boiling Point: | 127.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.78 g/cm3 |
MDL: | MFCD00128812 |
LogP: | 0.45810 |
GHS Hazard Statement: | H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112831547-A | qPCR additive for high GC fragment amplification and amplification method | 20210113 |
CN-111518041-A | Preparation method of 2'4' -difluoro-2- [1- (1H-1,2, 4-triazolyl) ] acetophenone | 20200424 |
CN-110407839-A | The preparation and application of the triazol heterocycle compound of the structure containing heteroaryl amide | 20190701 |
CN-110467616-A | Replace the preparation and application of the Triazolopyrazine class compound of pyridazinone structure containing heteroaryl | 20190701 |
CN-110251518-A | 1,2,4- triazole heterocyclic compound is in preparation prevention or treatment and the application in cental system related disease drug | 20190628 |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.9937248 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.9937248 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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