(Difluoromethyl)benzene - CAS 455-31-2
Catalog: |
BB025919 |
Product Name: |
(Difluoromethyl)benzene |
CAS: |
455-31-2 |
Synonyms: |
difluoromethylbenzene |
IUPAC Name: | difluoromethylbenzene |
Description: | (Difluoromethyl)benzene (CAS# 455-31-2) is a useful research chemical. |
Molecular Weight: | 128.12 |
Molecular Formula: | C7H6F2 |
Canonical SMILES: | C1=CC=C(C=C1)C(F)F |
InChI: | InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H |
InChI Key: | JDZLOJYSBBLXQD-UHFFFAOYSA-N |
Boiling Point: | 140 ℃ at 760 mmHg |
Density: | 1.091 g/cm3 |
MDL: | MFCD03788488 |
LogP: | 2.62420 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111574322-A | Preparation method of difluoromethyl aromatic compound | 20200610 |
WO-2021202659-A1 | Metal-based catalyst for producing polydienes | 20200331 |
WO-2021126080-A1 | A new method of 18f labelling and intermediate salts | 20191217 |
US-2021155561-A1 | Method and reagent for deoxyfluorination | 20191126 |
US-2021123055-A1 | Nucleic acid based biosensor and methods thereof | 20191023 |
PMID | Publication Date | Title | Journal |
22410247 | 20120415 | Aglycone-focused randomization of 2-difluoromethylphenyl-type sialoside suicide substrates for neuraminidases | Bioorganic & medicinal chemistry |
22113787 | 20111223 | Design, synthesis, and biological evaluation of novel fluorinated ethanolamines | Chemistry (Weinheim an der Bergstrasse, Germany) |
22241944 | 20110101 | Critical appraisal of ticagrelor in the management of acute coronary syndrome | Therapeutics and clinical risk management |
20677814 | 20100902 | Observation of vibronic emission spectrum of jet-cooled 3,5-difluorobenzyl radical | The journal of physical chemistry. A |
21577574 | 20090815 | N,N-Bis(2,6-difluoro-benz-yl)-1,3,4-thia-diazol-2-amine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 75 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.04375652 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.04375652 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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