4-Bromo-2-fluorobenzoic acid - CAS 112704-79-7
Catalog: |
BB003025 |
Product Name: |
4-Bromo-2-fluorobenzoic acid |
CAS: |
112704-79-7 |
Synonyms: |
4-bromo-2-fluorobenzoic acid |
IUPAC Name: | 4-bromo-2-fluorobenzoic acid |
Description: | An impurity of Enzalutamide. Enzalutamide is an androgen-receptor (AR) antagonist in LNCaP cells. |
Molecular Weight: | 219.01 |
Molecular Formula: | C7H4BrFO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)F)C(=O)O |
InChI: | InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
InChI Key: | ZQQSRVPOAHYHEL-UHFFFAOYSA-N |
Boiling Point: | 289.4 ℃ at 760 mmHg |
Melting Point: | 208-213 ℃ |
Purity: | > 95 % |
Density: | 1.789 g/cm3 |
Appearance: | White solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00143263 |
LogP: | 2.28640 |
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 |
CN-113200938-A | Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application | 20210520 |
CN-113264832-A | Method for synthesizing high-purity tert-butyl 2-fluoro-4-bromobenzoate | 20210513 |
CN-113150297-A | Two-dimensional mesoporous hydrogen bond organic framework material and preparation method and antibacterial application thereof | 20210321 |
CN-111454176-A | Method for preparing compound of formula (IV) of enzalutamide synthesis intermediate | 20200318 |
CN-111454175-A | Method for preparing compound of formula (III) of enzalutamide synthesis intermediate | 20200312 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.93787 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93787 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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