3-(4H-1,2,4-Triazol-4-yl)phenol - CAS 746656-39-3
Catalog: |
BB035129 |
Product Name: |
3-(4H-1,2,4-Triazol-4-yl)phenol |
CAS: |
746656-39-3 |
Synonyms: |
3-(1,2,4-triazol-4-yl)phenol |
IUPAC Name: | 3-(1,2,4-triazol-4-yl)phenol |
Description: | 3-(4H-1,2,4-Triazol-4-yl)phenol (CAS# 746656-39-3) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C8H7N3O |
Canonical SMILES: | C1=CC(=CC(=C1)O)N2C=NN=C2 |
InChI: | InChI=1S/C8H7N3O/c12-8-3-1-2-7(4-8)11-5-9-10-6-11/h1-6,12H |
InChI Key: | HGYDYAJSQGPQKI-UHFFFAOYSA-N |
Boiling Point: | 388.3 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
LogP: | 0.97290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108842932-A | A kind of high guarantor's clay soil/polyolefin antiadhesion barrier and preparation method thereof | 20180709 |
CN-108842932-B | High-adhesion polyolefin anti-adhesion film and preparation method thereof | 20180709 |
WO-2019054944-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANFERASE | 20170912 |
CN-111344284-A | Compounds useful as inhibitors of isoprene cysteine carboxymethyltransferase | 20170912 |
EP-3681878-A1 | Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase | 20170912 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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