1-Bromo-4-(difluoromethyl)benzene - CAS 51776-71-7
Catalog: |
BB027582 |
Product Name: |
1-Bromo-4-(difluoromethyl)benzene |
CAS: |
51776-71-7 |
Synonyms: |
1-bromo-4-(difluoromethyl)benzene |
IUPAC Name: | 1-bromo-4-(difluoromethyl)benzene |
Description: | 1-Bromo-4-(difluoromethyl)benzene (CAS# 51776-71-7) is a useful research chemical. |
Molecular Weight: | 207.02 |
Molecular Formula: | C7H5BrF2 |
Canonical SMILES: | C1=CC(=CC=C1C(F)F)Br |
InChI: | InChI=1S/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H |
InChI Key: | HUSPSWKWFREKSS-UHFFFAOYSA-N |
Boiling Point: | 208.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.604 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD06657964 |
LogP: | 3.38670 |
Refractive Index: | 1.498 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939750-A | Method for transferring asymmetric functionalization by nickel-hydrogen catalysis olefin promoted by ligand relay strategy | 20210204 |
CN-112939729-A | Method for carrying out hydrogen-deuterium exchange reaction on difluoromethyl aromatic hydrocarbon under base catalysis | 20210122 |
WO-2021126080-A1 | A new method of 18f labelling and intermediate salts | 20191217 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
Complexity: | 97.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.95427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.95427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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