2,4-Difluorobenzylamine - CAS 72235-52-0
Catalog: |
BB034578 |
Product Name: |
2,4-Difluorobenzylamine |
CAS: |
72235-52-0 |
Synonyms: |
Benzenemethanamine, 2,4-difluoro-; 2,4-Difluorobenzenemethanamine; 1-(2,4-Difluorophenyl)methanamine; [(2,4-Difluorophenyl)methyl]amine |
IUPAC Name: | (2,4-difluorophenyl)methanamine |
Description: | 2,4-Difluorobenzylamine (CAS# 72235-52-0) is also used as a reagent in the preparation, HIV antiviral activity, SAR, and molecular modelling of hydroxypyridonecarboxylic acids as HIV reverse transcriptase inhibitors. |
Molecular Weight: | 143.13 |
Molecular Formula: | C7H7F2N |
Canonical SMILES: | C1=CC(=C(C=C1F)F)CN |
InChI: | InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 |
InChI Key: | QDZZDVQGBKTLHV-UHFFFAOYSA-N |
Boiling Point: | 177.8±25.0°C at 760 mmHg |
Melting Point: | 255-256°C |
Purity: | 95% |
Density: | 1.214±0.06 g/cm3 |
Solubility: | Soluble in Dimethylformamide |
Appearance: | Colorless to yellow clear liquid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD00010142 |
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 |
Publication Number | Title | Priority Date |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
CN-112410380-A | Preparation method of 2, 4-difluorobenzylamine | 20201127 |
CN-112374997-A | Preparation process of 2, 4-difluorobenzylamine and intermediate thereof | 20201117 |
CN-112094219-A | Method for preparing intermediate of potassium ion competitive retarder | 20200910 |
CN-213493662-U | Doltetravir amide condensation reaction device | 20200902 |
Complexity: | 108 |
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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