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N'-Acetyl-2-chloroacetohydrazide - 95%, high purity , CAS No.4002-21-5
Basic Description
Synonyms
Hydrazine, 1-acetyl-2-(chloroacetyl)-;1-Acetyl-2-(chloroacetyl)hydrazine | AB16929 | N''-ACETYL-2-CHLOROACETOHYDRAZIDE | N'-acetyl-2-chloroacetohydrazide | N'-(2-chloroacetyl)acetohydrazide | DTXSID90408930 | SCHEMBL10189844 | AKOS001116649 | STL136294 |
Specifications & Purity
≥95%
Storage Temp
Room temperature
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 hydrazides
Direct Parent
Diacylhydrazines
Alternative Parents
Acetamides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Diacylhydrazine - Acetamide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as diacylhydrazines. These are carboxylic acid hydrazides with the formula RC(=O)NNC(R')=O ( R,R'=H or organyl 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
N'-acetyl-2-chloroacetohydrazide
INCHI
InChI=1S/C4H7ClN2O2/c1-3(8)6-7-4(9)2-5/h2H2,1H3,(H,6,8)(H,7,9)
InChIKey
DVMOPVMOVOSVQB-UHFFFAOYSA-N
Smiles
CC(=O)NNC(=O)CCl
Isomeric SMILES
CC(=O)NNC(=O)CCl
Molecular Weight
150.6
Reaxy-Rn
508029
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508029&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
150.560 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
150.02 Da
Monoisotopic Mass
150.02 Da
Topological Polar Surface Area
58.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
126.000
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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