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2-Cyanobenzamide - >96.0%(N), high purity , CAS No.17174-98-0

COA

Grade & Purity:

≥96%(N)

Cas Number: 17174-98-0
Molecular Weight: 146.15
PubChem CID: 72883
PubChem SID: 504754676

In stock

Item Number

C153721

Grouped product items
SKU	Size	Availability	Price
C153721-200mg	200mg	3	$44.90
C153721-1g	1g	2	$187.90
C153721-5g	5g	1	$842.90

Basic Description

Synonyms	2-Cyanobenzamide \| 17174-98-0 \| Benzamide, 2-cyano- \| o-Cyanobenzamide \| Benzamide, o-cyano- \| EINECS 241-224-0 \| NSC 28289 \| BRN 2085900 \| AI3-03760 \| NSC28289 \| ?2-CYANOBENZAMIDE \| 2-Cyanobenzamide, AldrichCPR \| 4-09-00-03268 (Beilstein Handbook Reference) \| SCHEMBL262368 \| DTXSID
Specifications & Purity	≥96%(N)
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
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzamides
Alternative Parents	Benzoyl derivatives Benzonitriles Primary carboxylic acid amides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzamide - Benzonitrile - Benzoyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene 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	504754676
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754676
IUPAC Name	2-cyanobenzamide
INCHI	InChI=1S/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)
InChIKey	STQPCKPKAIRSEL-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C#N)C(=O)N
Isomeric SMILES	C1=CC=C(C(=C1)C#N)C(=O)N
RTECS	CV2483500
Molecular Weight	146.15
Reaxy-Rn	2085900
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085900&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
I2321182	Certificate of Analysis	Sep 08, 2023	C153721
I2321181	Certificate of Analysis	Sep 08, 2023	C153721
I2321531	Certificate of Analysis	Sep 08, 2023	C153721
I2321530	Certificate of Analysis	Sep 08, 2023	C153721
I2321180	Certificate of Analysis	Sep 08, 2023	C153721
I2321183	Certificate of Analysis	Sep 08, 2023	C153721

Chemical and Physical Properties

Molecular Weight	146.150 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.048 Da
Monoisotopic Mass	146.048 Da
Topological Polar Surface Area	66.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	203.000
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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