1,4-di(1H-pyrazol-4-yl)benzene - CAS 1036248-62-0
Catalog: |
BB054070 |
Product Name: |
1,4-di(1H-pyrazol-4-yl)benzene |
CAS: |
1036248-62-0 |
Synonyms: |
1,4-Di(4'-pyrazolyl)benzene; 1H-Pyrazole, 4,4'-(1,4-phenylene)bis- |
IUPAC Name: | 4-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole |
Molecular Weight: | 210.23 |
Molecular Formula: | C12H10N4 |
Canonical SMILES: | C1=CC(=CC=C1C2=CNN=C2)C3=CNN=C3 |
InChI: | InChI=1S/C12H10N4/c1-2-10(12-7-15-16-8-12)4-3-9(1)11-5-13-14-6-11/h1-8H,(H,13,14)(H,15,16) |
InChI Key: | RUGLQPNWHSDVER-UHFFFAOYSA-N |
Boiling Point: | 578.0±43.0 °C at 760 mmHg |
Melting Point: | >360°C |
Purity: | 97% |
Density: | 1.289±0.06 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.090546336 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.090546336 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Pyrazoles
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