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tert-Butyl cyclopropanecarboxylate - 95%, high purity , CAS No.87661-20-9

COA

Grade & Purity:

≥95%

Cas Number: 87661-20-9
Molecular Weight: 142.2
EC Number: 862-285-5
PubChem CID: 13676038

In stock

Item Number

T590471

Grouped product items
SKU	Size	Availability	Price	Qty
T590471-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90

Basic Description

Synonyms	CS-0044361 \| DTXSID00546453 \| tert-ButylCyclopropanecarboxylate \| MFCD09836696 \| t-butyl cyclopropanecarboxylate \| tert-butyl cyclopropylcarboxylate \| FTEAAYMAQFBUJJ-UHFFFAOYSA-N \| AS-17931 \| Cyclopropanecarboxylic acid tert-butyl ester \| tert-butyl cyclo
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Cyclopropanecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Cyclopropanecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Cyclopropanecarboxylic acids and derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane 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	tert-butyl cyclopropanecarboxylate
INCHI	InChI=1S/C8H14O2/c1-8(2,3)10-7(9)6-4-5-6/h6H,4-5H2,1-3H3
InChIKey	FTEAAYMAQFBUJJ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C1CC1
Isomeric SMILES	CC(C)(C)OC(=O)C1CC1
Alternate CAS	87661-20-9
PubChem CID	13676038
Molecular Weight	142.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	142.200 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	142.099 Da
Monoisotopic Mass	142.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140.000
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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