4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid - CAS 5775-88-2
Catalog: |
BB029808 |
Product Name: |
4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid |
CAS: |
5775-88-2 |
Synonyms: |
4-bromo-2,5-dimethylpyrazole-3-carboxylic acid |
IUPAC Name: | 4-bromo-2,5-dimethylpyrazole-3-carboxylic acid |
Description: | 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid (CAS# 5775-88-2) is a useful research chemical. |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | CC1=NN(C(=C1Br)C(=O)O)C |
InChI: | InChI=1S/C6H7BrN2O2/c1-3-4(7)5(6(10)11)9(2)8-3/h1-2H3,(H,10,11) |
InChI Key: | ZUEAEVZRYGUFPS-UHFFFAOYSA-N |
Boiling Point: | 344 °C at 760 mmHg |
Density: | 1.8 g/cm3 |
Appearance: | White solid |
MDL: | MFCD02090873 |
LogP: | 1.18920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354677-A | Acrylonitrile compound and preparation method and application thereof | 20210120 |
CN-111050765-A | Spiro compounds and methods of making and using the same | 20170829 |
KR-20200046061-A | Spirocycle compounds and methods of making and using them | 20170829 |
WO-2019046318-A1 | SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | 20170829 |
BR-112020004101-A2 | spirocycle compounds and methods for producing and using the same | 20170829 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Pyrazoles
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