1-(1,3,5-Trimethyl-4-pyrazolyl)ethanone - CAS 1125-28-6
Catalog: |
BB002989 |
Product Name: |
1-(1,3,5-Trimethyl-4-pyrazolyl)ethanone |
CAS: |
1125-28-6 |
Synonyms: |
1-(1,3,5-trimethyl-4-pyrazolyl)ethanone; 1-(1,3,5-trimethylpyrazol-4-yl)ethanone |
IUPAC Name: | 1-(1,3,5-trimethylpyrazol-4-yl)ethanone |
Description: | 1-(1,3,5-Trimethyl-4-pyrazolyl)ethanone (CAS# 1125-28-6) is a useful research chemical. |
Molecular Weight: | 152.19 |
Molecular Formula: | C8H12N2O |
Canonical SMILES: | CC1=C(C(=NN1C)C)C(=O)C |
InChI: | InChI=1S/C8H12N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h1-4H3 |
InChI Key: | RRRUNQHYQYTSHH-UHFFFAOYSA-N |
Boiling Point: | 243.4 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00462201 |
LogP: | 1.23950 |
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 |
WO-2014083031-A2 | Binary pesticidal and fungicidal mixtures | 20121130 |
WO-2014083088-A2 | Binary fungicidal mixtures | 20121130 |
WO-2014083089-A1 | Ternary fungicidal and pesticidal mixtures | 20121130 |
US-2015119243-A1 | Pyrazole indanyl carboxamides | 20120509 |
US-2015119375-A1 | Pyrazole indanyl carboxamides | 20120509 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.094963011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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