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2-AMINO-5-CHLORO-4-ETHYLBENZENESULFONIC ACID , CAS No.88-56-2

COA

Cas Number: 88-56-2
Molecular Weight: 235.691
PubChem CID: 66621

In stock

Item Number

A171284

Grouped product items
SKU	Size	Availability	Price	Qty
A171284-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Discover 2-AMINO-5-CHLORO-4-ETHYLBENZENESULFONIC ACID by Aladdin Scientific in for only $100.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Amino-5-chloro-4-ethylbenzenesulfonic acid \| 88-56-2 \| Benzenesulfonic acid, 2-amino-5-chloro-4-ethyl- \| N9AQW8H17P \| 2-Amino-5-chloro-4-ethylbenzenesulphonic acid \| NSC-81226 \| UNII-N9AQW8H17P \| NSC81226 \| EINECS 201-840-2 \| NSC 81226 \| ETHYL C AMINE \| SCHEMBL2468560 \| DTXSID
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-amino-5-chloro-4-ethylbenzenesulfonic acid
INCHI	InChI=1S/C8H10ClNO3S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)
InChIKey	DJOIZOKQHNHZPN-UHFFFAOYSA-N
Smiles	CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N
Isomeric SMILES	CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N
Molecular Weight	235.691
Reaxy-Rn	13743258
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13743258&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.690 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	235.007 Da
Monoisotopic Mass	235.007 Da
Topological Polar Surface Area	88.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	287.000
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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