3-Bromo-2,6-difluorotoluene - CAS 221220-97-9
Catalog: |
BB017399 |
Product Name: |
3-Bromo-2,6-difluorotoluene |
CAS: |
221220-97-9 |
Synonyms: |
1-bromo-2,4-difluoro-3-methylbenzene; 1-bromo-2,4-difluoro-3-methylbenzene |
IUPAC Name: | 1-bromo-2,4-difluoro-3-methylbenzene |
Description: | 3-Bromo-2,6-difluorotoluene (CAS# 221220-97-9) is a useful research chemical. |
Molecular Weight: | 207.02 |
Molecular Formula: | C7H5BrF2 |
Canonical SMILES: | CC1=C(C=CC(=C1F)Br)F |
InChI: | InChI=1S/C7H5BrF2/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,1H3 |
InChI Key: | AISIRIFPPGLTCY-UHFFFAOYSA-N |
Boiling Point: | 174.4 °C at 760 mmHg |
Density: | 1.588 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD03412221 |
LogP: | 3.03570 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020246903-A1 | Dopamine-β-hydroxylase inhibitors | 20190605 |
WO-2020146613-A1 | Kras g12c inhibitors | 20190110 |
WO-2019153080-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
WO-2020101736-A1 | Kras g12c inhibitors | 20171115 |
EP-3523311-A1 | Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators | 20161006 |
Complexity: | 118 |
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: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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