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(1-Isocyanoethyl)benzene - 95%, high purity , CAS No.17329-20-3

COA

Grade & Purity:

≥95%

Cas Number: 17329-20-3
Molecular Weight: 131.17
MDL number: MFCD02664589
PubChem CID: 519905

In stock

Item Number

B300007

Grouped product items
SKU	Size	Availability	Price
B300007-100mg	100mg	1	$69.90
B300007-500mg	500mg	1	$211.90
B300007-1g	1g	1	$359.90
B300007-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,433.90

View related series

Isocyanide compound (1)

Basic Description

Synonyms	MS-20405 \| 1-isocyanoethylbenzene \| 1-Phenylethyl isocyanide \| EN300-1865399 \| 1-phenylethylisonitrile \| DTXSID30334188 \| MFCD02664589 \| Benzene, (1-isocyanoethyl)- \| KCCAPMXVCPVFEH-UHFFFAOYSA-N \| Methylbenzyl isocyanide \| 1,1-Isocyanophenylethane \| FT-06
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Organic isocyanides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Organic isocyanide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	1-isocyanoethylbenzene
INCHI	InChI=1S/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3
InChIKey	KCCAPMXVCPVFEH-UHFFFAOYSA-N
Smiles	CC(C1=CC=CC=C1)[N+]#[C-]
Isomeric SMILES	CC(C1=CC=CC=C1)[N+]#[C-]
Molecular Weight	131.17
Reaxy-Rn	4133608
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4133608&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.

10 results found

Lot Number	Certificate Type	Date	Item
G2130075	Certificate of Analysis	May 17, 2024	B300007
G2130076	Certificate of Analysis	May 14, 2024	B300007
C2428107	Certificate of Analysis	Mar 15, 2024	B300007
C2428112	Certificate of Analysis	Mar 15, 2024	B300007
C2428258	Certificate of Analysis	Mar 15, 2024	B300007
C2428259	Certificate of Analysis	Mar 15, 2024	B300007
C2428260	Certificate of Analysis	Mar 15, 2024	B300007
C2428261	Certificate of Analysis	Mar 15, 2024	B300007
C2428262	Certificate of Analysis	Mar 15, 2024	B300007
F2517123	Certificate of Analysis	Mar 15, 2024	B300007

Chemical and Physical Properties

Molecular Weight	131.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	131.073 Da
Monoisotopic Mass	131.073 Da
Topological Polar Surface Area	4.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136.000
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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