3-(4-Chlorophenyl)-1H-pyrazole - CAS 59843-58-2
Catalog: |
BB030524 |
Product Name: |
3-(4-Chlorophenyl)-1H-pyrazole |
CAS: |
59843-58-2 |
Synonyms: |
5-(4-chlorophenyl)-1H-pyrazole |
IUPAC Name: | 5-(4-chlorophenyl)-1H-pyrazole |
Description: | 3-(4-Chlorophenyl)-1H-pyrazole (CAS# 59843-58-2) is a useful research chemical. |
Molecular Weight: | 178.62 |
Molecular Formula: | C9H7ClN2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=NN2)Cl |
InChI: | InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12) |
InChI Key: | HLCXWJKNVWWWOF-UHFFFAOYSA-N |
Boiling Point: | 366.4 ℃ at 760 mmHg |
Melting Point: | 80 ℃ |
Purity: | 95 % |
Density: | 1.292 g/cm3 |
Appearance: | Light yellow to beige-brown crystalline powder |
MDL: | MFCD00111881 |
LogP: | 2.73010 |
GHS Hazard Statement: | H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2020100667-A | Method for controlling plant diseases using phenylpyrazole compound | 20200318 |
CN-110483400-A | A kind of preparation method of pyrazole derivatives | 20190814 |
WO-2020080534-A1 | Phenylpyrazole compound and method for controlling plant disease | 20181018 |
CN-112839505-A | Phenylpyrazole compounds and method for controlling plant diseases | 20181018 |
EP-3868193-A1 | Phenylpyrazole compound and method for controlling plant disease | 20181018 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0297759 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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