Basic information
- CAS
37148-47-3- Standard SMILES
Nc1c(Cl)cc(C(=O)CBr)cc1Cl- InChIKey
ATKJJUFAWYSFID-UHFFFAOYSA-N- Molecular formula
- C8H6BrCl2NO
- Average molar mass
- 282.95 g/mol
- Monoisotopic mass
- 280.90098
Names & identifiers
- Preferred name
- 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethan-1-one
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanone
- English name
- 4-Amino-3,5-dichlorophenacylbromide
- Molecular formula
- C8H6BrCl2NO
- Molecular weight
- 282.95
Names & synonyms
1-(4-amino-3,5-dichlorophenyl)-2-bromoethanone1-(4-Amino-3,5-dichlorophenyl)-2-bromoethan-1-oneEINECS 253-367-69JW68Z2WMLEthanone, 1-(4-amino-3,5-dichlorophenyl)-2-bromo-DTXSID101906284-AMINO-.ALPHA.-BROMO-3,5-DICHLOROACETOPHENONE4-AMINO-.OMEGA.-BROMO-3,5-DICHLOROACETOPHENONE1-[4-Amino-3,5-dichlorophenyl]-2-bromoethanoneRefChem:74401DTXCID501131194-AMINO-ALPHA-BROMO-3,5-DICHLOROACETOPHENONE
Show more names
Pour Point -20c LebelClenbuterol Impurity EP-EClenbuterol Hydrochloride E4-Amino-3,5-dichlorophenacylbromid4-Amino-3,5-dichloro-bromoacetophenone4-AMino-3,5-dichloro-2broMoacetophenone4-AMINO-A-BROMO-3,5-DICHLOROACETOPHEONE4-AMINO-2-BROMO-3,5-DICHLOROACETOPHENONE
4-AMINO-OMEGA-BROMO-3,5-DICHLOROACETOPHENONE253-367-637148-47-34-Amino-3,5-dichlorophenacylbromideClenbuterol EP Impurity E4-Amino-3,5-dichloro-alpha-bromoacetophenone1-(4-AMINO-3,5-DICHLORO-PHENYL)-2-BROMO-ETHANONEMFCD09743795
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 142 · 142-1450C
- Boiling point
- 396.4 · 396.4±42.0 °C(Predicted)
- Density
- 1.764 · 1.764±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly)
- pka
- -2.21 · -2.21±0.10(Predicted)
- form
- Solid
- color
- Off-White to Yellow
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C8H6BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3,12H2
- InChIKey
- ATKJJUFAWYSFID-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC(Cl)=C(N)C(Cl)=C1)CBr
- CAS DataBase Reference
- 37148 · 37148-47-3
- FDA UNII
- 9 JW68Z2WML · 9JW68Z2WML
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-3,5-dichlorophenacylbromide is a compound useful in organic synthesis.
Uses1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone Hydrobromide is an intermediate in synthesizing Clenproperol-d7 (C573002). A labelled related drug of Clenbuterol (C569998), a β-agonist which can be used as a growth promoter in farm animals.
Uses4-Amino-3,5-dichloro-alpha-bromoacetophenone is an impurity reference for Clenbuterol and can be used as a reference substance to analyze drug quality. It is widely used in organic synthesis and drug production.
Preparation methods
PreparationDissolve 4-amino-3, 5-dichloroacetophenone in chloroform and heat to 65°C. Add bromine dropwise with stirring, stir for a few minutes after adding, then add ethanol and stir. Freeze, filter out the crystals, wash with chloroform, and dry at low temperature to obtain finished products.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
9 records
Compound notes
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