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2-Methoxy-5-nitrobenzene-1-sulfonyl chloride - ≥95%, high purity , CAS No.81118-92-5

COA

Grade & Purity:

≥95%

Cas Number: 81118-92-5
Molecular Weight: 251.64
PubChem CID: 12406975

In stock

Item Number

M726786

Grouped product items
SKU	Size	Availability	Price
M726786-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$118.90
M726786-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$198.90
M726786-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$535.90
M726786-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,740.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Benzenesulfonyl chlorides Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Benzenesulfonyl chloride - Methoxyaniline - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Alkyl aryl ether - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the 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-methoxy-5-nitrobenzenesulfonyl chloride
INCHI	InChI=1S/C7H6ClNO5S/c1-14-6-3-2-5(9(10)11)4-7(6)15(8,12)13/h2-4H,1H3
InChIKey	DSSUHBJSDMHACJ-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl
Isomeric SMILES	COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl
PubChem CID	12406975
Molecular Weight	251.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	251.640 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	250.966 Da
Monoisotopic Mass	250.966 Da
Topological Polar Surface Area	97.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	332.000
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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