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N-(2-Bromoethyl)succinimide - 97%, high purity , CAS No.55943-72-1
Basic Description
Synonyms
1-bromo-2-succinimidoethane | N-(2-bromoethyl)succinimide | 2,5-Pyrrolidinedione, 1-(2-bromoethyl)- | EN300-30700 | SCHEMBL3128954 | DTXSID10543892 | AXYDHHRUFSOIAB-UHFFFAOYSA-N | SY005159 | 1-(2-Bromoethyl)pyrrolidine-2,5-dione, AldrichCPR | AMY20021 | 1
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid imides
Direct Parent
N-substituted carboxylic acid imides
Alternative Parents
Pyrrolidine-2-ones N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dicarboximide - Pyrrolidine - Lactam - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).
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
Pubchem Sid
504767440
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767440
IUPAC Name
1-(2-bromoethyl)pyrrolidine-2,5-dione
INCHI
InChI=1S/C6H8BrNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2
InChIKey
AXYDHHRUFSOIAB-UHFFFAOYSA-N
Smiles
C1CC(=O)N(C1=O)CCBr
Isomeric SMILES
C1CC(=O)N(C1=O)CCBr
WGK Germany
3
Molecular Weight
206.04
Reaxy-Rn
124759
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124759&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
heat sensitive
Melt Point(°C)
56-60℃
Molecular Weight
206.040 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
204.974 Da
Monoisotopic Mass
204.974 Da
Topological Polar Surface Area
37.400 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
153.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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K1907019