3-Bromophenylacetic Acid - CAS 1878-67-7
Catalog: |
BB014454 |
Product Name: |
3-Bromophenylacetic Acid |
CAS: |
1878-67-7 |
Synonyms: |
(m-Bromophenyl)acetic Acid; 3-Bromobenzeneacetic Acid; (3-bromo-phenyl)acetic acid |
IUPAC Name: | 2-(3-bromophenyl)acetic acid |
Description: | 3-Bromophenylacetic Acid (CAS# 1878-67-7) is a halo substituted phenylacetic acid with anti oxidative properties. 3-Bromophenylacetic Acid has been shown to inhibit penicillin biosynthetic enzymes. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)CC(=O)O |
InChI: | InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | KYNNBXCGXUOREX-UHFFFAOYSA-N |
Boiling Point: | 326.0 °C at 760 mmHg |
Melting Point: | 102-104 °C |
Purity: | > 98 % |
Density: | 1.616 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | White solid |
Storage: | 2-8 °C |
MDL: | MFCD00004330 |
LogP: | 2.07620 |
GHS Hazard Statement: | H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210116323-A | Novel compounds of inhibiting cdk7, and their pharmaceutically acceptable salts | 20200313 |
WO-2021182914-A1 | Novel cdk7 inhibitory compound or pharmaceutically acceptable salt thereof | 20200313 |
CN-111138370-A | Naphthalene ring-aminopyrimidine compound and preparation method and application thereof | 20200210 |
CN-111233766-A | Naphthalene ring-pyrazole compound and preparation method and application thereof | 20200210 |
CN-111138370-B | Naphthalene ring-aminopyrimidine compound and preparation method and application thereof | 20200210 |
PMID | Publication Date | Title | Journal |
21577958 | 20090926 | 3-(3-Bromo-benz-yl)-1H-isochromen-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
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: | 2.4 |
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