5-(3-Methoxyphenyl)-1H-tetrazole - CAS 73096-36-3
Catalog: |
BB034763 |
Product Name: |
5-(3-Methoxyphenyl)-1H-tetrazole |
CAS: |
73096-36-3 |
Synonyms: |
5-(3-methoxyphenyl)-2H-tetrazole; 5-(3-methoxyphenyl)-2H-tetrazole |
IUPAC Name: | 5-(3-methoxyphenyl)-2H-tetrazole |
Description: | 5-(3-Methoxyphenyl)-1H-tetrazole (CAS# 73096-36-3) is a useful research chemical. |
Molecular Weight: | 176.18 |
Molecular Formula: | C8H8N4O |
Canonical SMILES: | COC1=CC=CC(=C1)C2=NNN=N2 |
InChI: | InChI=1S/C8H8N4O/c1-13-7-4-2-3-6(5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
InChI Key: | KVMUPWSDGZTZGM-UHFFFAOYSA-N |
Boiling Point: | 377.5 °C at 760 mmHg |
Melting Point: | 156-158 °C |
Purity: | 95 % |
Density: | 1.288 g/cm3 |
MDL: | MFCD03093094 |
LogP: | 0.87530 |
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 |
EP-2726515-A1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
EP-2726515-B1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
FR-2977253-A1 | Alcoxylic organostannic reagent supported, prepared and used for the synthesis of heterogeneous phase tetrazoles | 20110630 |
US-2014206825-A1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
US-9724673-B2 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.06981089 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.06981089 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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