5-Bromo-2-fluorotoluene - CAS 51437-00-4
Catalog: |
BB027439 |
Product Name: |
5-Bromo-2-fluorotoluene |
CAS: |
51437-00-4 |
Synonyms: |
4-bromo-1-fluoro-2-methylbenzene |
IUPAC Name: | 4-bromo-1-fluoro-2-methylbenzene |
Description: | 5-Bromo-2-fluorotoluene (CAS# 51437-00-4) is used in the preparation of 1, 2-diarylimidazoles and terphenyls as cyclooxygenase inhibitors and orally active antiinflammatory agents. |
Molecular Weight: | 189.02 |
Molecular Formula: | C7H6BrF |
Canonical SMILES: | CC1=C(C=CC(=C1)Br)F |
InChI: | InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 |
InChI Key: | VXKYOKPNAXNAFU-UHFFFAOYSA-N |
Boiling Point: | 94-95 °C (50 mmHg) |
Density: | 1.486 g/cm3 |
MDL: | MFCD00000343 |
LogP: | 2.89660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
CN-111518017-A | Nitrogen-containing compound, electronic component, and electronic device | 20191230 |
WO-2021082958-A1 | Nitrogen-containing compounds, electronics and electronic devices | 20191031 |
WO-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.96369 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.96369 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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