| CAS Number | 90253-21-7 |
| Catalog Number | AG01BHIN(AGN-PC-00L8LD) |
| Chemical Name | 4-Cyclopropyl-1H-pyrazole |
| IUPAC Name | 4-cyclopropyl-1H-pyrazole |
| InChI | InChI=1S/C6H8N2/c1-2-5(1)6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8) |
| InChI Key | FHHRJUAWRYSTJL-UHFFFAOYSA-N |
| MDL Number | MFCD22681810 |
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.1411 |
| SMILES | C1(CC1)C=1C=NNC1 |
| Synonyms | 4-cyclopropyl-1H-pyrazole,
90253-21-7,
1H-Pyrazole, 4-cyclopropyl-,
4-Cyclopropylpyrazol,
SCHEMBL922860,
CTK3I2903,
DTXSID50524004,
FHHRJUAWRYSTJL-UHFFFAOYSA-N,
MFCD22681810,
ZINC39411187,
AKOS027325178,
AK319083,
DS-11598,
1H-Pyrazole,4-cyclopropyl-,
4-CYCLOPROPYL-1H-PYRAZOLE HCl salt,
|
| Complexity | 88.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 108.144g/mol |
| Monoisotopic Mass | 108.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number