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N-Boc-4-iodoaniline - 95%, high purity , CAS No.159217-89-7

COA

Grade & Purity:

≥95%

Cas Number: 159217-89-7
Molecular Weight: 319.14
MDL number: MFCD03490497
PubChem CID: 2773612
PubChem SID: 504761842

In stock

Item Number

I167640

Grouped product items
SKU	Size	Availability	Price
I167640-250mg	250mg	3	$10.90
I167640-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$33.90
I167640-5g	5g	9	$129.90
I167640-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90
I167640-25g	25g	10	$523.90
I167640-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,883.90

Basic Description

Synonyms	159217-89-7 \| tert-butyl N-(4-iodophenyl)carbamate \| N-Boc-4-iodoaniline \| tert-Butyl (4-iodophenyl)carbamate \| tert-butyl 4-iodophenylcarbamate \| Carbamic acid, N-(4-iodophenyl)-, 1,1-dimethylethyl ester \| MFCD03490497 \| N-Boc 4-iodoaniline \| Carbamic acid, (4-iodopheny
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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	Iodobenzenes Aryl iodides Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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	504761842
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761842
IUPAC Name	tert-butyl N-(4-iodophenyl)carbamate
INCHI	InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey	CGALRQWBJFDAKN-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=CC=C(C=C1)I
Isomeric SMILES	CC(C)(C)OC(=O)NC1=CC=C(C=C1)I
WGK Germany	3
Molecular Weight	319.14
Reaxy-Rn	7203231
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7203231&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.

4 results found

Lot Number	Certificate Type	Date	Item
C2013018	Certificate of Analysis	Jul 09, 2025	I167640
B2222257	Certificate of Analysis	Dec 14, 2023	I167640
B2222138	Certificate of Analysis	Dec 14, 2023	I167640
B2222261	Certificate of Analysis	Dec 14, 2023	I167640

Chemical and Physical Properties

Melt Point(°C)	144-148 °C
Molecular Weight	319.140 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	319.007 Da
Monoisotopic Mass	319.007 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217.000
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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