3-Bromo-4-fluorotoluene - CAS 452-62-0
Catalog: |
BB025804 |
Product Name: |
3-Bromo-4-fluorotoluene |
CAS: |
452-62-0 |
Synonyms: |
2-bromo-1-fluoro-4-methylbenzene |
IUPAC Name: | 2-bromo-1-fluoro-4-methylbenzene |
Description: | 3-Bromo-4-fluorotoluene (CAS# 452-62-0) is a useful research chemical. |
Molecular Weight: | 189.02 |
Molecular Formula: | C7H6BrF |
Canonical SMILES: | CC1=CC(=C(C=C1)F)Br |
InChI: | InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
InChI Key: | QLRKALMVPCQTMU-UHFFFAOYSA-N |
Boiling Point: | 169 °C |
Purity: | 98 % |
Density: | 1.507 g/cm3 |
Appearance: | Colorless to light yellow liqui |
MDL: | MFCD00040827 |
LogP: | 2.89660 |
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-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
WO-2021028570-A1 | 2-hydroxycycloalkane-1-carbamoyl derivatives | 20190815 |
US-2020399258-A1 | Benzisoxazole Sulfonamide Derivatives | 20190618 |
WO-2020254946-A1 | Benzisoxazole sulfonamide derivatives | 20190618 |
WO-2020108659-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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