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2-Bromoisobutanoic acid N-hydroxysuccinimide ester - 98% (GC), high purity , CAS No.728034-24-0
Basic Description
Synonyms
NHS-BiB | AS-83254 | 2,5-DIOXOPYRROLIDIN-1-YL 2-BROMO-2-METHYLPROPANOATE | 2-Bromoisobutanoic acid N-hydroxysuccinimide ester | SCHEMBL260599 | NHS-BiB | Propanoic acid, 2-bromo-2-methyl-, 2,5-dioxo-1-pyrrolidinyl ester | (2,5-dioxopyrrolidin-1-yl) 2-brom
Specifications & Purity
≥98%(GC)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Atom transfer radical polymerization (ATRP) initiator with an NHS ester moiety for conjugation chemistry, useful for biological ligations.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidones
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine-2-ones
Alternative Parents
Dicarboximides Alpha-halocarboxylic acid derivatives Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
2-pyrrolidone - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Dicarboximide - Lactam - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Alkyl bromide - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
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
(2,5-dioxopyrrolidin-1-yl) 2-bromo-2-methylpropanoate
INCHI
InChI=1S/C8H10BrNO4/c1-8(2,9)7(13)14-10-5(11)3-4-6(10)12/h3-4H2,1-2H3
InChIKey
QBJWGGWPQPRVKW-UHFFFAOYSA-N
Smiles
CC(C)(C(=O)ON1C(=O)CCC1=O)Br
Isomeric SMILES
CC(C)(C(=O)ON1C(=O)CCC1=O)Br
Molecular Weight
264.07
Reaxy-Rn
9847467
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9847467&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat sensitive；Moisture sensitive
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
135-140℃
Molecular Weight
264.070 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
262.979 Da
Monoisotopic Mass
262.979 Da
Topological Polar Surface Area
63.700 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
284.000
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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K2314310