Ethyl 4-bromophenylacetate - CAS 14062-25-0
Catalog: |
BB009087 |
Product Name: |
Ethyl 4-bromophenylacetate |
CAS: |
14062-25-0 |
Synonyms: |
ethyl 2-(4-bromophenyl)acetate |
IUPAC Name: | ethyl 2-(4-bromophenyl)acetate |
Description: | Ethyl 4-bromophenylacetate (CAS# 14062-25-0) is used to prepare highly selective and orally active Lysophosphatidic Acid (LPA) receptor-1 antagonists with potent activity on human lung fibroblasts. |
Molecular Weight: | 243.10 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CCOC(=O)CC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3 |
InChI Key: | ZFDCWHPNBWPPHG-UHFFFAOYSA-N |
Boiling Point: | 88-90 °C / 0.35 mmHg |
Melting Point: | 29-33 °C (lit.) |
Purity: | 95 % |
Density: | 1.389 g/cm3 |
Appearance: | Clear colorless to pale yellow liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00016333 |
LogP: | 2.55470 |
GHS Hazard Statement: | H302 (86.36%): 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-2021194318-A1 | Plk1 selective degradation inducing compound | 20200327 |
WO-2021188936-A1 | Phd inhibitor compounds, compositions, and use | 20200320 |
WO-2021188944-A1 | Phd inhibitor compounds, compositions, and their use | 20200320 |
KR-20210112061-A | Single atom catalyst and method of forming the same | 20200304 |
WO-2021177705-A1 | Single-atom catalyst and method for forming same | 20200304 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.99424 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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