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tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate - 98%, high purity , CAS No.269747-25-3

COA

Grade & Purity:

≥98%

Cas Number: 269747-25-3
Molecular Weight: 291.75
MDL number: MFCD10697736
PubChem CID: 53439191

In stock

Item Number

B303290

Grouped product items
SKU	Size	Availability	Price	Qty
B303290-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
B303290-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90

Basic Description

Synonyms	269747-25-3 \| tert-Butyl (4-(chlorosulfonyl)phenyl)carbamate \| TERT-BUTYL [4-(CHLOROSULFONYL)PHENYL]CARBAMATE \| tert-butyl 4-(chlorosulfonyl)phenylcarbamate \| 4-(BOC-AMINO)-BENZENESULFONYL CHLORIDE \| Tert-butyl[4-(chlorosulfonyl)phenyl]carbamate \| tert-butyl N-(4-chl
Specifications & Purity	≥98%
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Benzenesulfonyl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Carbamate esters Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Benzenesulfonyl chloride - Benzenesulfonyl group - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Carbamic acid ester - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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	tert-butyl N-(4-chlorosulfonylphenyl)carbamate
INCHI	InChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)
InChIKey	XUKQJXYLFMTDNU-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
Isomeric SMILES	CC(C)(C)OC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
Molecular Weight	291.75
Reaxy-Rn	8485878
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8485878&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	291.750 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	291.033 Da
Monoisotopic Mass	291.033 Da
Topological Polar Surface Area	80.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	388.000
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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