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1-Naphthalenesulfonyl chloride - 98%, high purity , CAS No.85-46-1

COA

Grade & Purity:

≥98%

Cas Number: 85-46-1
Molecular Weight: 226.68
Beilstein Registry Number: 2099333
EC Number: 201-609-6
MDL number: MFCD00003984
PubChem CID: 66560
PubChem SID: 504754078

In stock

Item Number

N111092

Grouped product items
SKU	Size	Availability	Price
N111092-1g	1g	3	$9.90
N111092-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$23.90
N111092-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$91.90
N111092-100g	100g	1	$328.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	1-napthalenesufonylchloride \| A841335 \| naphthylsulphonyl chloride \| 1-naphthalenesulfonic acid chloride \| 1-Naphthylsulfonyl chloride \| 3WYX4I0SJR \| STR06124 \| J-523449 \| naphthylsulfonyl chloride \| NAPHTHALEN-1-SULFONYL CHLORIDE \| EN300-100371 \| 1 -naph
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	1-Naphthalenesulfonyl chloride undergoes desulfitative carbonylative Stille cross-coupling reaction with tinglucal derivative. 1-Naphthalenesulfonyl chloride has been used in the preparation of 5?-O-naphthaleneiulfonyldeoxyuridine and 1-sulfonylindazole derivatives. The derivatives of this compound is used for quantitative metabolome analysis New set of isotope reagents, 12C4-, 12C213C2-, and 13C4-5-diethylamino-naphthalene-1-sulfonyl chloride (DensCl), in combination with liquid chromatography Fourier-transform ion cyclotron resonance mass spectrometry (LC-FTICR-MS) is used for improved analysis of the amine- and phenol-containing submetabolome. 1-Naphthalenesulfonyl chloride has been used in the preparation of: · 5′-O-naphthaleneiulfonyldeoxyuridine · 1-sulfonylindazole derivatives

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalene sulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1-naphthalene sulfonic acids and derivatives
Alternative Parents	Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-naphthalene sulfonic acid or derivatives - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused 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

Pubchem Sid	504754078
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754078
IUPAC Name	naphthalene-1-sulfonyl chloride
INCHI	InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey	DASJFYAPNPUBGG-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl
Isomeric SMILES	C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl
WGK Germany	3
UN Number	3261
Molecular Weight	226.68
Beilstein	2099333
Reaxy-Rn	2099333
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2099333&ln=

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

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5 results found

Lot Number	Certificate Type	Date	Item
L2427278	Certificate of Analysis	Jul 10, 2024	N111092
D23131159	Certificate of Analysis	Apr 23, 2023	N111092
D23131141	Certificate of Analysis	Apr 23, 2023	N111092
D23131138	Certificate of Analysis	Apr 23, 2023	N111092
D23131174	Certificate of Analysis	Apr 23, 2023	N111092

Chemical and Physical Properties

Solubility	Reacts slowly with water. Soluble in chloroform.
Sensitivity	Moisture sensitive
Boil Point(°C)	194-195 °C/13 mmHg
Melt Point(°C)	66-70°C
Molecular Weight	226.680 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	225.986 Da
Monoisotopic Mass	225.986 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	294.000
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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