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tert-Butyl N-(5-chlorothiophen-2-yl)carbamate - 98%, high purity

COA

Grade & Purity:

≥98%

PubChem CID: 11601095

In stock

Item Number

T185731

Grouped product items
SKU	Size	Availability	Price	Qty
T185731-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90

Basic Description

Synonyms	tert-Butyl (5-chlorothiophen-2-yl)carbamate \| 63806-71-3 \| Tert-butyl N-(5-chlorothiophen-2-yl)carbamate \| MFCD06659528 \| tert-Butyl(5-chlorothiophen-2-yl)carbamate \| SCHEMBL1504066 \| DTXSID50469264 \| N-Boc-2-amino-5-chlorothiophene \| SLZLJXFJTIAWMB-UHFFFAOYSA-N \| (5-CHLOR
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass 2,5-disubstituted thiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	2,5-disubstituted thiophenes
Intermediate Tree Nodes	Not available
Direct Parent	2,5-disubstituted thiophenes
Alternative Parents	Aryl chlorides Heteroaromatic compounds Carbamate esters Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
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-(5-chlorothiophen-2-yl)carbamate
INCHI	InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)
InChIKey	SLZLJXFJTIAWMB-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=CC=C(S1)Cl

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	233.720 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.028 Da
Monoisotopic Mass	233.028 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217.000
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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