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2‐bromo‐1‐cyclopropylpropan‐1‐one - 97%, high purity , CAS No.34650-66-3
Discover 2‐bromo‐1‐cyclopropylpropan‐1‐one by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Bromo-1-cyclopropylpropan-1-one | 34650-66-3 | 2-Bromo-1-cyclopropyl-1-propanone | 2-bromo-1-cyclopropyl-propan-1-one | MFCD13172605 | 1-Propanone, 2-bromo-1-cyclopropyl- (9CI) | SCHEMBL234039 | DTXSID70664097 | NPNNSQQYZVWPMG-UHFFFAOYSA-N | AMY34721 | AKOS022178872 | PB4854
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Alpha-haloketones
Alternative Parents
Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-bromo-1-cyclopropylpropan-1-one
INCHI
InChI=1S/C6H9BrO/c1-4(7)6(8)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
NPNNSQQYZVWPMG-UHFFFAOYSA-N
Smiles
CC(C(=O)C1CC1)Br
Isomeric SMILES
CC(C(=O)C1CC1)Br
Molecular Weight
177.039
Reaxy-Rn
2429193
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2429193&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
177.040 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
175.984 Da
Monoisotopic Mass
175.984 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
107.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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