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3-cyanobenzamide - ≥95%, high purity , CAS No.3441-01-8

COA

Grade & Purity:

≥95%

Cas Number: 3441-01-8
Molecular Weight: 146.15
Beilstein Registry Number: 1907971
PubChem CID: 76974
PubChem SID: 488185355

In stock

Item Number

C333574

Grouped product items
SKU	Size	Availability	Price
C333574-250mg	250mg	3	$82.90
C333574-1g	1g	3	$252.90
C333574-5g	5g	3	$760.90

Discover 3-cyanobenzamide by Aladdin Scientific in ≥95% for only $82.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Cyanobenzamide \| 3-Cyano-benzamide \| 4-09-00-03297 (Beilstein Handbook Reference) \| Benzamide, 3-cyano- \| Z33547157 \| C77669 \| MFCD00017574 \| AKOS000188597 \| Benzamide, m-cyano- \| m-Cyanobenzamide \| EN300-31182 \| BRN 1907971 \| FT-0692134 \| AS-56847 \| Be
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 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	488185355
IUPAC Name	3-cyanobenzamide
INCHI	InChI=1S/C8H6N2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H2,10,11)
InChIKey	PAQVSWFCADWSLB-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(=O)N)C#N
Isomeric SMILES	C1=CC(=CC(=C1)C(=O)N)C#N
Molecular Weight	146.15
Beilstein	1907971
Reaxy-Rn	1907971
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907971&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
D2308857	Certificate of Analysis	Feb 25, 2023	C333574
D2308862	Certificate of Analysis	Feb 25, 2023	C333574
D2308853	Certificate of Analysis	Feb 25, 2023	C333574
D2308864	Certificate of Analysis	Feb 25, 2023	C333574
D2308855	Certificate of Analysis	Feb 25, 2023	C333574
D2308847	Certificate of Analysis	Feb 25, 2023	C333574

Chemical and Physical Properties

Refractive Index	n20D1.59 (Predicted)
Boil Point(°C)	~327.7° C at 760 mmHg (Predicted)
Melt Point(°C)	127.14° C (Predicted)
Molecular Weight	146.150 g/mol
XLogP3	0.500
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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