3-(4-Bromophenyl)propionic acid - CAS 1643-30-7
Catalog: |
BB012099 |
Product Name: |
3-(4-Bromophenyl)propionic acid |
CAS: |
1643-30-7 |
Synonyms: |
3-(4-bromophenyl)propanoic acid |
IUPAC Name: | 3-(4-bromophenyl)propanoic acid |
Description: | 3-(4-Bromophenyl)propionic acid (CAS# 1643-30-7) is a useful research chemical. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | C1=CC(=CC=C1CCC(=O)O)Br |
InChI: | InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12) |
InChI Key: | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
Boiling Point: | 336.3 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.531 g/cm3 |
Appearance: | White to light yellow or beige crystalline powder |
MDL: | MFCD01310793 |
LogP: | 2.46630 |
GHS Hazard Statement: | H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
WO-2020241626-A1 | Pyridinium salt and pest control agent | 20190529 |
WO-2020210922-A1 | Derivatives of adamantyl oxadiazoles and pharmaceutically acceptable solvates, hydrates and salts thereof, pharmaceutical composition comprising same, synthesis method, suitable for use as effective and selective inhibitors of the reductase activity of the enzyme 11-beta dehydrogenase type 1 (11β-hsd1) | 20190417 |
TW-202045491-A | Azole derivatives | 20190220 |
PMID | Publication Date | Title | Journal |
21863799 | 20111013 | Cyclopentane-1,3-dione: a novel isostere for the carboxylic acid functional group. Application to the design of potent thromboxane (A2) receptor antagonists | Journal of medicinal chemistry |
20099863 | 20100219 | A rapid and efficient Sonogashira protocol and improved synthesis of free fatty acid 1 (FFA1) receptor agonists | The Journal of organic chemistry |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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