4-Bromophenylacetic acid - CAS 1878-68-8
Catalog: |
BB014455 |
Product Name: |
4-Bromophenylacetic acid |
CAS: |
1878-68-8 |
Synonyms: |
2-(4-bromophenyl)acetic acid |
IUPAC Name: | 2-(4-bromophenyl)acetic acid |
Description: | 4-Bromophenylacetic acid (CAS# 1878-68-8) is a compound useful in organic synthesis. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)Br |
InChI: | InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | QOWSWEBLNVACCL-UHFFFAOYSA-N |
Boiling Point: | 326 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.616 g/cm3 |
MDL: | MFCD00004342 |
LogP: | 2.07620 |
GHS Hazard Statement: | H302 (83.67%): 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 |
CN-113200934-A | Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof | 20210518 |
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PMID | Publication Date | Title | Journal |
21577701 | 20090905 | Diaqua-bis[2-(4-bromo-phen-yl)acetato]bis-(N,N-dimethyl-pyridin-4-amine)copper(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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