4-Nitro-5-(trifluoromethyl)pyrazole - CAS 1046462-99-0
Catalog: |
BB001443 |
Product Name: |
4-Nitro-5-(trifluoromethyl)pyrazole |
CAS: |
1046462-99-0 |
Synonyms: |
4-nitro-5-(trifluoromethyl)-1H-pyrazole; 4-nitro-5-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 4-nitro-5-(trifluoromethyl)-1H-pyrazole |
Description: | 4-Nitro-5-(trifluoromethyl)pyrazole (CAS# 1046462-99-0) is a useful research chemical. |
Molecular Weight: | 181.07 |
Molecular Formula: | C4H2F3N3O2 |
Canonical SMILES: | C1=NNC(=C1[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C4H2F3N3O2/c5-4(6,7)3-2(10(11)12)1-8-9-3/h1H,(H,8,9) |
InChI Key: | FFTRSILXQBIOTB-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 1.85990 |
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 |
WO-2021026451-A1 | Compounds and method for treating cytokine release syndrome | 20190808 |
WO-2020113233-A1 | Irak degraders and uses thereof | 20181130 |
CN-113423427-A | IRAK degrading agents and uses thereof | 20181130 |
EP-3886904-A1 | Irak degraders and uses thereof | 20181130 |
KR-20210111252-A | IRAK disintegrants and uses thereof | 20181130 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.00991080 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.00991080 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS