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tert-butyl 3-(3-bromophenyl)azetidine-1-carboxylate - 97%, high purity , CAS No.1203681-54-2

COA

Grade & Purity:

≥97%

Cas Number: 1203681-54-2
Molecular Weight: 312.2
PubChem CID: 118989312

In stock

Item Number

T627320

Grouped product items
SKU	Size	Availability	Price
T627320-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
T627320-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
T627320-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
T627320-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
T627320-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,001.90

Basic Description

Synonyms	MFCD11223586 \| EN300-12450074 \| 1-Boc-3-(3-bromophenyl)azetidine \| tert-Butyl3-(3-bromophenyl)azetidine-1-carboxylate \| SB52111 \| DTXSID901192839 \| 1203681-54-2 \| SCHEMBL19385185 \| PS-20920 \| SY324353 \| E88543 \| tert-Butyl 3-(3-bromophenyl)azetidine-1-car
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Phenylazetidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Phenylazetidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylazetidines
Alternative Parents	Bromobenzenes Azetidinecarboxylic acids Carbamate esters Organic carbonic acids and derivatives Vinyl bromides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylazetidine - Halobenzene - Bromobenzene - Azetidinecarboxylic acid - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with 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

IUPAC Name	tert-butyl 3-(3-bromophenyl)azetidine-1-carboxylate
INCHI	InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-11(9-16)10-5-4-6-12(15)7-10/h4-7,11H,8-9H2,1-3H3
InChIKey	MNQDJKCJNLGVGM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)C2=CC(=CC=C2)Br
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)C2=CC(=CC=C2)Br
Alternate CAS	1203681-54-2
PubChem CID	118989312
Molecular Weight	312.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.200 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	311.052 Da
Monoisotopic Mass	311.052 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	307.000
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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