Methyl 5-(Trifluoromethyl)pyrazole-3-carboxylate - CAS 6833-82-5
Catalog: |
BB033533 |
Product Name: |
Methyl 5-(Trifluoromethyl)pyrazole-3-carboxylate |
CAS: |
6833-82-5 |
Synonyms: |
5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid methyl ester; methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate |
IUPAC Name: | methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate |
Description: | Methyl 5-(Trifluoromethyl)pyrazole-3-carboxylate (CAS# 6833-82-5) is a useful research chemical. |
Molecular Weight: | 194.11 |
Molecular Formula: | C6H5F3N2O2 |
Canonical SMILES: | COC(=O)C1=NNC(=C1)C(F)(F)F |
InChI: | InChI=1S/C6H5F3N2O2/c1-13-5(12)3-2-4(11-10-3)6(7,8)9/h2H,1H3,(H,10,11) |
InChI Key: | UCKDGWZKTSPBOO-UHFFFAOYSA-N |
Appearance: | Liquid |
MDL: | MFCD09754160 |
LogP: | 1.21510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020180131-A | Harmful arthropod control method using heterocyclic compound | 20200623 |
WO-2021177330-A1 | Fused tricyclic compound and medicinal use thereof | 20200304 |
JP-2019167374-A | Method for controlling harmful arthropods using heterocyclic compounds | 20190607 |
WO-2020158889-A1 | Heterocyclic compound and harmful arthropod control composition containing same | 20190131 |
WO-2020132269-A1 | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors | 20181220 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03031189 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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