3,5-Difluorobenzylamine - CAS 90390-27-5
Catalog: |
BB039840 |
Product Name: |
3,5-Difluorobenzylamine |
CAS: |
90390-27-5 |
Synonyms: |
(3,5-difluorophenyl)methanamine |
IUPAC Name: | (3,5-difluorophenyl)methanamine |
Description: | 3,5-Difluorobenzylamine (CAS# 90390-27-5) is a useful reagent for reductive amination. |
Molecular Weight: | 143.13 |
Molecular Formula: | C7H7F2N |
Canonical SMILES: | C1=C(C=C(C=C1F)F)CN |
InChI: | InChI=1S/C7H7F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2 |
InChI Key: | VJNGGOMRUHYAMC-UHFFFAOYSA-N |
Boiling Point: | 184 °C |
Purity: | 98 % |
Density: | 1.21 g/cm3 |
Appearance: | Clear yellow liquid |
MDL: | MFCD00061244 |
LogP: | 2.12380 |
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 |
19441049 | 20090601 | Determination of sub-ppb epichlorohydrin levels in water by on-line solid-phase extraction liquid chromatography/tandem mass spectrometry | Rapid communications in mass spectrometry : RCM |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 97.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.05465555 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.05465555 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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