5-Chloro-2-(1H-1,2,4-triazol-1-yl)aniline - CAS 450399-92-5
Catalog: |
BB025751 |
Product Name: |
5-Chloro-2-(1H-1,2,4-triazol-1-yl)aniline |
CAS: |
450399-92-5 |
Synonyms: |
5-chloro-2-(1,2,4-triazol-1-yl)aniline |
IUPAC Name: | 5-chloro-2-(1,2,4-triazol-1-yl)aniline |
Description: | 5-Chloro-2-(1H-1,2,4-triazol-1-yl)aniline (CAS# 450399-92-5) is a useful research chemical. |
Molecular Weight: | 194.62 |
Molecular Formula: | C8H7ClN4 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)N)N2C=NC=N2 |
InChI: | InChI=1S/C8H7ClN4/c9-6-1-2-8(7(10)3-6)13-5-11-4-12-13/h1-5H,10H2 |
InChI Key: | HJSKDFBSZMCRAJ-UHFFFAOYSA-N |
Boiling Point: | 396.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.49 g/cm3 |
MDL: | MFCD04971015 |
LogP: | 2.08410 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H413 (97.44%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021110076-A1 | Oxamide derivatives, preparation method therefor and use thereof in medicine | 20191204 |
US-10240084-B2 | Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications | 20140325 |
US-2015275076-A1 | Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications | 20140325 |
WO-02064211-A1 | Thrombin inhibitors | 20010209 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0359239 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0359239 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Triazole/Tetrazole
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