Skip to the beginning of the images gallery

tert-butyl 3-(bromomethyl)azetidine-1-carboxylate - 97%, high purity , CAS No.253176-93-1

COA

Grade & Purity:

≥97%

Cas Number: 253176-93-1
Molecular Weight: 250.136
PubChem CID: 53350331
PubChem SID: 488201584

In stock

Item Number

T175902

Grouped product items
SKU	Size	Availability	Price
T175902-250mg	250mg	2	$89.90
T175902-500mg	500mg	1	$162.90
T175902-1g	1g	1	$292.90
T175902-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,315.90

Basic Description

Synonyms	253176-93-1 \| tert-butyl 3-(bromomethyl)azetidine-1-carboxylate \| 1-Boc-3-(bromomethyl)azetidine \| 1-BOC-3-Bromomethylazetidine \| 3-BROMOMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER \| MFCD16556174 \| N-(TERT-BUTOXYCARBONYL)-3-BROMOMETHYLAZETIDINE \| C9H16BrNO2 \| SCH
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Azetidinecarboxylic acids or derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Azetidinecarboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Azacycle - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine 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

Pubchem Sid	488201584
IUPAC Name	tert-butyl 3-(bromomethyl)azetidine-1-carboxylate
INCHI	InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6H2,1-3H3
InChIKey	PUKCUGDJEPVLPR-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)CBr
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)CBr
PubChem CID	53350331
Molecular Weight	250.136

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.

6 results found

Lot Number	Certificate Type	Date	Item
E2324455	Certificate of Analysis	Apr 26, 2023	T175902
E2324444	Certificate of Analysis	Apr 26, 2023	T175902
E2324442	Certificate of Analysis	Apr 26, 2023	T175902
E2324449	Certificate of Analysis	Apr 26, 2023	T175902
E2324454	Certificate of Analysis	Apr 26, 2023	T175902
E2324436	Certificate of Analysis	Apr 26, 2023	T175902

Chemical and Physical Properties

Molecular Weight	250.130 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	249.036 Da
Monoisotopic Mass	249.036 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	194.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration