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Benzenesulfonyl isocyanate - 95%, high purity , CAS No.2845-62-7

COA

Grade & Purity:

≥95%

Cas Number: 2845-62-7
Molecular Weight: 183.18
Beilstein Registry Number: 743441
EC Number: 220-640-6
MDL number: MFCD00007546
PubChem CID: 76096

In stock

Item Number

B113719

Grouped product items
SKU	Size	Availability	Price
B113719-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$27.90
B113719-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$107.90
B113719-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$483.90
B113719-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,739.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 220-640-6 \| phenyl sulfonyl isocyanate \| phenylsulfonylisocyanate \| Benzenesulfonylisocyanate \| Benzenesulfonyl isocyanate, 95% \| benzenesulphonylisocyanate \| AKOS005206912 \| Benzenesulfonyl isocyanate \| benzene sulphonyl isocyanate \| SCHEMBL7211 \|
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Benzenesulfonyl isocyanate reacts with ethanol and phenol to yield normal urethan products Benzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Sulfonyl isocyanates Organosulfonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Sulfonyl isocyanate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-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	N-(oxomethylidene)benzenesulfonamide
INCHI	InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
InChIKey	UJYAZVSPFMJCLW-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)S(=O)(=O)N=C=O
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)N=C=O
WGK Germany	3
UN Number	2922
Molecular Weight	183.18
Beilstein	743441
Reaxy-Rn	743441
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743441&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
L2219168	Certificate of Analysis	Jan 04, 2023	B113719
L2219169	Certificate of Analysis	Dec 29, 2022	B113719

Chemical and Physical Properties

Sensitivity	Moisture sensitive，heat sensitive
Refractive Index	1.535-1.537
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	130°C
Molecular Weight	183.190 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	182.999 Da
Monoisotopic Mass	182.999 Da
Topological Polar Surface Area	72.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	278.000
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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