3,5-Bis(trifluoromethyl)benzylamine - CAS 85068-29-7
Catalog: |
BB037450 |
Product Name: |
3,5-Bis(trifluoromethyl)benzylamine |
CAS: |
85068-29-7 |
Synonyms: |
[3,5-bis(trifluoromethyl)phenyl]methanamine |
IUPAC Name: | [3,5-bis(trifluoromethyl)phenyl]methanamine |
Description: | 3,5-Bis(trifluoromethyl)benzylamine (CAS# 85068-29-7) is used in preparation of nitrile by catalytic oxidation of amines. |
Molecular Weight: | 243.15 |
Molecular Formula: | C9H7F6N |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN |
InChI: | InChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2 |
InChI Key: | DHVHORCFFOSRBP-UHFFFAOYSA-N |
Boiling Point: | 82-84 °C (15 mmHg) |
Melting Point: | 46-55 °C |
Purity: | 95 % |
Density: | 1.378 g/cm3 |
Appearance: | Colorless to light yellow liqui |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00009909 |
LogP: | 3.88320 |
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 |
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PMID | Publication Date | Title | Journal |
16539373 | 20060323 | In vivo stability and photodynamic efficacy of fluorinated bacteriopurpurinimides derived from bacteriochlorophyll-a | Journal of medicinal chemistry |
15935661 | 20050701 | A practical molecular clip for immobilization of receptors and biomolecules on devices' surface: synthesis, grafting protocol and analytical assay | Bioorganic & medicinal chemistry letters |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.04826820 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.04826820 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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