2-Bromo-5-fluoro-1,3-dimethylbenzene - CAS 14659-58-6
Catalog: |
BB010102 |
Product Name: |
2-Bromo-5-fluoro-1,3-dimethylbenzene |
CAS: |
14659-58-6 |
Synonyms: |
2-bromo-5-fluoro-1,3-dimethylbenzene; 2-bromo-5-fluoro-1,3-dimethylbenzene |
IUPAC Name: | 2-bromo-5-fluoro-1,3-dimethylbenzene |
Description: | 2-Bromo-5-fluoro-1,3-dimethylbenzene (CAS# 14659-58-6) is a useful research chemical. |
Molecular Weight: | 203.05 |
Molecular Formula: | C8H8BrF |
Canonical SMILES: | CC1=CC(=CC(=C1Br)C)F |
InChI: | InChI=1S/C8H8BrF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3 |
InChI Key: | SIZYXYRNXJSAON-UHFFFAOYSA-N |
LogP: | 3.20500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021002293-A1 | Heterocyclic compounds as bet inhibitors | 20190702 |
WO-2021003310-A1 | Heterocyclic compounds as bet inhibitors | 20190702 |
CN-111377908-A | Thermally activated delayed fluorescence compound and application thereof | 20181227 |
US-2020140459-A1 | Heterocyclic compounds as bet inhibitors | 20181030 |
CN-113226322-A | Heterocyclic compounds as BET inhibitors | 20181030 |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.97934 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.97934 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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