2-Bromo-2'-chloroacetophenone - CAS 5000-66-8
Catalog: |
BB026888 |
Product Name: |
2-Bromo-2'-chloroacetophenone |
CAS: |
5000-66-8 |
Synonyms: |
2-bromo-1-(2-chlorophenyl)ethanone |
IUPAC Name: | 2-bromo-1-(2-chlorophenyl)ethanone |
Description: | 2-Bromo-2'-chloroacetophenone (CAS# 5000-66-8) is a compound useful in organic synthesis. |
Molecular Weight: | 233.49 |
Molecular Formula: | C8H6BrClO |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)CBr)Cl |
InChI: | InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
InChI Key: | WZWWEVCLPKAQTA-UHFFFAOYSA-N |
Boiling Point: | 162-166 °C (20 mmHg) |
Melting Point: | 162-166 °C (20 MMH g) |
Purity: | 95 % |
Density: | 1.602 g/cm3 |
Appearance: | Colourless liquid |
Storage: | Keep Cold |
MDL: | MFCD00832993 |
LogP: | 2.91760 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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