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2-(Boc-amino)benzaldehyde - 97%, high purity , CAS No.74965-38-1

COA

Grade & Purity:

≥97%

Cas Number: 74965-38-1
Molecular Weight: 221.25
MDL number: MFCD01861809
PubChem CID: 11287472
PubChem SID: 488197367

In stock

Item Number

B469628

Grouped product items
SKU	Size	Availability	Price
B469628-250mg	250mg	8	$54.90
B469628-1g	1g	3	$134.90
B469628-5g	5g	2	$467.90

Basic Description

Synonyms	DTXSID70461260 \| SCHEMBL5785123 \| A923232 \| MFCD01861809 \| tert-butyl 2-formylphenylcarbamate \| AS-37017 \| FT-0767608 \| DHALMIBUKCNMLD-UHFFFAOYSA-N \| 2-(Boc-amino)benzaldehyde, 97% \| tert-butyl(2-formylphenyl)carbamate \| ZCA96538 \| J-524354 \| (2-formyl-ph
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Benzoyl derivatives Benzaldehydes Vinylogous amides Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Benzoyl - Benzaldehyde - Aryl-aldehyde - Vinylogous amide - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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	488197367
IUPAC Name	tert-butyl N-(2-formylphenyl)carbamate
INCHI	InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h4-8H,1-3H3,(H,13,15)
InChIKey	DHALMIBUKCNMLD-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=CC=CC=C1C=O
Isomeric SMILES	CC(C)(C)OC(=O)NC1=CC=CC=C1C=O
Molecular Weight	221.25
Reaxy-Rn	4410334
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4410334&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2324299	Certificate of Analysis	Mar 22, 2023	B469628
D2324288	Certificate of Analysis	Mar 22, 2023	B469628
D2324291	Certificate of Analysis	Mar 22, 2023	B469628
D2324300	Certificate of Analysis	Mar 22, 2023	B469628
D2324286	Certificate of Analysis	Mar 22, 2023	B469628
D2324294	Certificate of Analysis	Mar 22, 2023	B469628

Chemical and Physical Properties

Molecular Weight	221.250 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	221.105 Da
Monoisotopic Mass	221.105 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	257.000
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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