3-(4-Bromophenyl)-1H-pyrazole - CAS 73387-46-9
Catalog: |
BB034835 |
Product Name: |
3-(4-Bromophenyl)-1H-pyrazole |
CAS: |
73387-46-9 |
Synonyms: |
5-(4-bromophenyl)-1H-pyrazole |
IUPAC Name: | 5-(4-bromophenyl)-1H-pyrazole |
Description: | 3-(4-Bromophenyl)-1H-pyrazole (CAS# 73387-46-9) is a useful research chemical. |
Molecular Weight: | 223.07 |
Molecular Formula: | C9H7BrN2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=NN2)Br |
InChI: | InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12) |
InChI Key: | LXDGTEBHVOKDLE-UHFFFAOYSA-N |
Boiling Point: | 388.9 °C at 760 mmHg |
Melting Point: | 132-136 °C |
Purity: | 96 % |
Density: | 1.565 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD01940434 |
LogP: | 2.83920 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110483400-A | A kind of preparation method of pyrazole derivatives | 20190814 |
US-2021078975-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
KR-20190064847-A | Arylpyrazolylpiperazine or diazepane derivatives acting as 5-HT7 receptor ligands and pharmaceutical composition for treating or preventing central nervous system diseases | 20171201 |
CN-111094278-A | Diphenyl derivatives and their use | 20170913 |
TW-201920112-A | Diphenyl derivative and its use | 20170913 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.97926 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.97926 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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