3,5-dimethyl-4H-1,2,4-triazole - CAS 7343-34-2
Catalog: |
BB034845 |
Product Name: |
3,5-dimethyl-4H-1,2,4-triazole |
CAS: |
7343-34-2 |
Synonyms: |
3,5-dimethyl-1H-1,2,4-triazole; 3,5-dimethyl-1H-1,2,4-triazole |
IUPAC Name: | 3,5-dimethyl-1H-1,2,4-triazole |
Description: | 3,5-dimethyl-4H-1,2,4-triazole (CAS# 7343-34-2) is a useful research chemical. |
Molecular Weight: | 97.121 |
Molecular Formula: | C4H7N3 |
Canonical SMILES: | CC1=NC(=NN1)C |
InChI: | InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7) |
InChI Key: | XYYXDARQOHWBPO-UHFFFAOYSA-N |
Boiling Point: | 255.4 °C at 760 mmHg |
Density: | 1.119 g/cm3 |
MDL: | MFCD00656686 |
LogP: | 0.42150 |
GHS Hazard Statement: | H302 (33.33%): 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-112876956-A | Polyaspartic acid ester composition and preparation method and application thereof | 20210118 |
WO-2021165125-A1 | Polyisocyanate preparations | 20200217 |
EP-3854831-A1 | Compound comprising fully blocked isocyanate and silane groups and its use as crosslinker in electrocoating materials | 20200124 |
WO-2021148261-A1 | Aqueous electrocoating materials comprising a silane-containing crosslinker | 20200124 |
JP-2021116327-A | Inkjet ink | 20200123 |
PMID | Publication Date | Title | Journal |
22267083 | 20120414 | Novel iso-reticular Zn(II) metal-organic frameworks constructed by trinuclear-triangular and paddle-wheel units: synthesis, structure and gas adsorption | Dalton transactions (Cambridge, England : 2003) |
17487968 | 20070611 | Construction of Ag/1,2,4-triazole/polyoxometalates hybrid family varying from diverse supramolecular assemblies to 3-d Rod-packing framework | Inorganic chemistry |
16258620 | 20051121 | Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate | Dalton transactions (Cambridge, England : 2003) |
14704051 | 20040112 | Novel triazole-bridged cadmium coordination polymers varying from zero- to three-dimensionality | Inorganic chemistry |
Complexity: | 64 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.063997236 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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