5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole - CAS 175205-09-1
Catalog: |
BB013095 |
Product Name: |
5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole |
CAS: |
175205-09-1 |
Synonyms: |
5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole; 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole |
Description: | 5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole (CAS# 175205-09-1) is a useful research chemical. |
Molecular Weight: | 282.15 |
Molecular Formula: | C9H4F6N4 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NNN=N2 |
InChI: | InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19) |
InChI Key: | KKJFZIQEWZVVIV-UHFFFAOYSA-N |
MDL: | MFCD06246015 |
LogP: | 2.90430 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021141072-A1 | Nucleic acid synthesis method using segment-type amidite | 20200108 |
CN-111039977-A | Phosphorylylation reagent and application thereof in oligonucleotide synthesis | 20191231 |
WO-2020191252-A1 | Technologies useful for oligonucleotide preparation | 20190320 |
TW-202045521-A | Novel phosphoramidites | 20190220 |
TW-202102516-A | Phosphonoacetate gapmer oligonucleotides | 20190220 |
PMID | Publication Date | Title | Journal |
17900140 | 20071026 | Synthesis of branched oligonucleotides with three different sequences using an oxidatively removable tritylthio group | The Journal of organic chemistry |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.03401512 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.03401512 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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