3-Bromophenylacetyl chloride - CAS 98288-51-8
Catalog: |
BB042135 |
Product Name: |
3-Bromophenylacetyl chloride |
CAS: |
98288-51-8 |
Synonyms: |
2-(3-bromophenyl)acetyl chloride |
IUPAC Name: | 2-(3-bromophenyl)acetyl chloride |
Description: | 3-Bromophenylacetyl chloride (CAS# 98288-51-8) is a useful research chemical. |
Molecular Weight: | 233.49 |
Molecular Formula: | C8H6BrClO |
Canonical SMILES: | C1=CC(=CC(=C1)Br)CC(=O)Cl |
InChI: | InChI=1S/C8H6BrClO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2 |
InChI Key: | DFKQZCVLSJIRES-UHFFFAOYSA-N |
MDL: | MFCD11052954 |
LogP: | 2.75700 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111153865-A | Parecoxib sodium substituted impurity and preparation method thereof | 20200119 |
CN-111153866-A | Parecoxib sodium disubstituted impurity and preparation method and application thereof | 20200119 |
WO-2020099858-A1 | Cephalosporin ciprofloxacin hybrid compounds | 20181112 |
CN-108707114-B | Acetamide compound and preparation method and application thereof | 20180503 |
AU-2016213929-A1 | Compounds containing carbon-carbon linker as GPR120 agonists | 20150205 |
PMID | Publication Date | Title | Journal |
21577958 | 20090926 | 3-(3-Bromo-benz-yl)-1H-isochromen-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.92906 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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