w-Bromo-4-Hydroxyacetophenone
- Iupac Name：2-bromo-1-(4-hydroxyphenyl)propan-1-one
- CAS No.: 53946-87-5
- Molecular Weight：230.0785
- Modify Date.: 2022-11-25 09:49
1. Names and Identifiers
- 1.1 Name
- w-Bromo-4-Hydroxyacetophenone
- 1.2 Synonyms
1-Propanone, 2-bromo-1-(4-hydroxyphenyl)- 2-Brom-1-(4-hydroxy-phenyl)-propan-1-on 2-bromanyl-1-(4-hydroxyphenyl)propan-1-one 2-bromo-(4'-hydroxyphenyl)-propan-1-one 2-bromo-1-(4-hydroxyphenyl)-1-propanone 2-bromo-1-(4-hydroxy-phenyl)-propan-1-one 2-Bromo-1-(4-hydroxyphenyl)propan-1-one 2-bromo-1-(4'-hydroxyphenyl)propanone 2-BROMO-4'-HYDROXY PHENYL ACETONE 2-bromo-4'-hydroxypropiophenone 2-bromo-4-hydroxypropiophenone OMEGA-BROMO-4-HYDROXYACETOPHENONE
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- 1.3 CAS No.
- 53946-87-5
- 1.4 CID
- 12613163
- 1.5 Molecular Formula
- C9H9BrO2 (isomer)
- 1.6 Inchi
- InChI=1S/C9H9BrO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,11H,1H3
- 1.7 InChIkey
- QQFSREJMXIMHQJ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC(C(=O)C1=CC=C(C=C1)O)Br
- 1.9 Isomers Smiles
- CC(C(=O)C1=CC=C(C=C1)O)Br
2. Properties
- 2.1 Density
- 1.532
- 2.1 Boiling point
- 339.3°C at 760 mmHg
- 2.1 Refractive index
- 1.59
- 2.1 Flash Point
- 159°C
- 2.1 Precise Quality
- 227.97900
- 2.1 PSA
- 37.30000
- 2.1 logP
- 2.35830
- 2.1 StorageTemp
- Inert atmosphere,2-8°C
3. Synthesis Route
53946-87-5Total: 3 Synthesis Route
5. Computational chemical data
- Molecular Weight: 230.0785g/mol
- Molecular Formula: C9H9BrO2
- Compound Is Canonicalized: True
- XLogP3-AA: 2.4
- Exact Mass: 227.97859
- Monoisotopic Mass: 227.97859
- Complexity: 162
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 37.3
- Heavy Atom Count: 12
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABzASAmAAyBoAAAgCIAqBSAAACAAAkIAAIiAEGCOgoJjKCFRKAcQAkwBEImZeIzKDOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==
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- Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
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- Products:building blocks, synthetic intermediates, custom synthesis
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7. Realated Product Infomation
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