1-(4-Chlorophenyl)-4-hydroxymethyl-1,2,3-triazole - CAS 133902-66-6
Catalog: |
BB007835 |
Product Name: |
1-(4-Chlorophenyl)-4-hydroxymethyl-1,2,3-triazole |
CAS: |
133902-66-6 |
Synonyms: |
[1-(4-chlorophenyl)-4-triazolyl]methanol; [1-(4-chlorophenyl)triazol-4-yl]methanol |
IUPAC Name: | [1-(4-chlorophenyl)triazol-4-yl]methanol |
Description: | 1-(4-Chlorophenyl)-4-hydroxymethyl-1,2,3-triazole (CAS# 133902-66-6) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C9H8ClN3O |
Canonical SMILES: | C1=CC(=CC=C1N2C=C(N=N2)CO)Cl |
InChI: | InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2 |
InChI Key: | CAHIFLPAMJOAGI-UHFFFAOYSA-N |
Boiling Point: | 402.9 °C at 760 mmHg |
Density: | 1.42 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00140928 |
LogP: | 1.41300 |
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 |
Publication Number | Title | Priority Date |
US-2021171475-A1 | Compounds | 20180831 |
AU-2017217542-A1 | Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators | 20160210 |
EP-3414233-A1 | Substituted 1,2,3-triazoles as nr2b-selective nmda modulators | 20160210 |
JP-2019504854-A | Substituted 1,2,3-Triazoles as NR2B Selective NMDA Modulators | 20160210 |
US-10071988-B2 | Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators | 20160210 |
PMID | Publication Date | Title | Journal |
21776985 | 20110908 | Novel 1,2,3-triazole derivatives for use against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain | Journal of medicinal chemistry |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0355896 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0355896 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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