2,4,6-Trifluorobenzyl amine - CAS 214759-21-4
Catalog: |
BB016895 |
Product Name: |
2,4,6-Trifluorobenzyl amine |
CAS: |
214759-21-4 |
Synonyms: |
(2,4,6-trifluorophenyl)methanamine; (2,4,6-trifluorophenyl)methanamine |
IUPAC Name: | (2,4,6-trifluorophenyl)methanamine |
Description: | 2,4,6-Trifluorobenzyl amine (CAS# 214759-21-4) is a Bictegravir (1611493-60-7) intermediate and an antiviral agent. |
Molecular Weight: | 161.12 |
Molecular Formula: | C7H6F3N |
Canonical SMILES: | C1=C(C=C(C(=C1F)CN)F)F |
InChI: | InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2 |
InChI Key: | RCHOKTKXVKKNBC-UHFFFAOYSA-N |
Boiling Point: | 164.8 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
MDL: | MFCD00236317 |
LogP: | 2.26290 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021009606-A1 | Process for Preparation of Intermediates Used for the Synthesis of HIV Integrase Inhibitor | 20190708 |
WO-2020255004-A1 | Process and polymorphic forms of bictegravir and its pharmaceutically acceptable salts or co-crystals thereof | 20190618 |
US-2020317689-A1 | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
WO-2020197991-A1 | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
WO-2020152711-A1 | Process for preparation of halogenated benzylamine and intermediates therof | 20190125 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.04523368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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