4-Bromophenoxyacetic acid - CAS 1878-91-7
Catalog: |
BB014465 |
Product Name: |
4-Bromophenoxyacetic acid |
CAS: |
1878-91-7 |
Synonyms: |
2-(4-bromophenoxy)acetic acid |
IUPAC Name: | 2-(4-bromophenoxy)acetic acid |
Description: | 4-Bromophenoxyacetic acid (CAS# 1878-91-7) is used as a reactant in the direct C-F bond formation using photoredox catalysis. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | C1=CC(=CC=C1OCC(=O)O)Br |
InChI: | InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | SZEBGAQWWSUOHT-UHFFFAOYSA-N |
Boiling Point: | 337.9 °C at 760 mmHg |
Melting Point: | 156-161 °C |
Purity: | 95 % |
Density: | 1.641 g/cm3 |
Appearance: | White crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD0009307 |
LogP: | 1.91250 |
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-110724115-A | Method for preparing 2-amino-5-substituted-1, 3, 4-thiadiazole | 20191024 |
CN-110724115-B | Method for preparing 2-amino-5-substituted-1, 3, 4-thiadiazole | 20191024 |
WO-2020167994-A1 | Compounds, compositions and methods | 20190213 |
WO-2020168011-A1 | Compounds, compositions and methods | 20190213 |
TW-202045164-A | Compounds, compositions and methods | 20190213 |
PMID | Publication Date | Title | Journal |
16870498 | 20070301 | FT-IR, FT-Raman spectra and ab initio DFT vibrational analysis of p-bromophenoxyacetic acid | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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