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2-Bromopropionic Acid tert-Butyl Ester - 97%, high purity , CAS No.39149-80-9

COA

Grade & Purity:

≥97%

Cas Number: 39149-80-9
Molecular Weight: 209.08
MDL number: MFCD00043897
PubChem CID: 545327
PubChem SID: 504759194

In stock

Item Number

B119910

Grouped product items
SKU	Size	Availability	Price
B119910-5g	5g	3	$14.90
B119910-25g	25g	2	$54.90
B119910-100g	100g	2	$194.90
B119910-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$877.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	tert-Butyl 2-bromopropanoate # \| FT-0639530 \| 2-bromopropionic acid, tert-butyl ester \| tert-Butyl 2-bromopropanoate, AldrichCPR \| 2-Bromopropionic acid tert-butyl ester \| SY052208 \| (+/-) 2-Bromopropionic acid tert-butyl ester \| bromopropionic acid tert-
Specifications & Purity	≥97%
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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Alpha-halocarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alpha-halocarboxylic acid derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
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	504759194
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759194
IUPAC Name	tert-butyl 2-bromopropanoate
INCHI	InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChIKey	CVAWKJKISIPBOD-UHFFFAOYSA-N
Smiles	CC(C(=O)OC(C)(C)C)Br
Isomeric SMILES	CC(C(=O)OC(C)(C)C)Br
Molecular Weight	209.08
Reaxy-Rn	1703357
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703357&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.

7 results found

Lot Number	Certificate Type	Date	Item
F2415327	Certificate of Analysis	Mar 30, 2024	B119910
F2225050	Certificate of Analysis	Mar 13, 2024	B119910
F2225051	Certificate of Analysis	Mar 13, 2024	B119910
F2225052	Certificate of Analysis	Mar 13, 2024	B119910
F2225053	Certificate of Analysis	Jun 08, 2022	B119910
H1830132	Certificate of Analysis	Apr 26, 2022	B119910
H1830131	Certificate of Analysis	Apr 26, 2022	B119910

Chemical and Physical Properties

Sensitivity	Air Sensitive,Heat Sensitive
Refractive Index	1.4380 to 1.4410
Flash Point(°C)	63 °C
Boil Point(°C)	62°C
Molecular Weight	209.080 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	208.01 Da
Monoisotopic Mass	208.01 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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