4-Bromo-3-phenylpyrazole - CAS 13808-65-6
Catalog: |
BB008709 |
Product Name: |
4-Bromo-3-phenylpyrazole |
CAS: |
13808-65-6 |
Synonyms: |
4-bromo-5-phenyl-1H-pyrazole; 4-bromo-5-phenyl-1H-pyrazole |
IUPAC Name: | 4-bromo-5-phenyl-1H-pyrazole |
Description: | 4-Bromo-3-phenylpyrazole (CAS# 13808-65-6) is a useful research chemical. |
Molecular Weight: | 223.07 |
Molecular Formula: | C9H7BrN2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C=NN2)Br |
InChI: | InChI=1S/C9H7BrN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12) |
InChI Key: | ZJFUSLGMGSYTRY-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD11855861 |
LogP: | 2.83920 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111747988-A | Organic electroluminescent material and device | 20190326 |
KR-20200116036-A | Organic electroluminescent materials and devices | 20190326 |
WO-2020027704-A1 | Cdk8/19 inhibitors | 20180803 |
AU-2019313199-A1 | CDK8/19 inhibitors | 20180803 |
KR-20210040416-A | CDK8/19 inhibitor | 20180803 |
Complexity: | 146 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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