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Isophthalamide - 97%, high purity , CAS No.1740-57-4

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 1740-57-4
Molecular Weight: 164.16
Beilstein Registry Number: 9(1)372
MDL number: MFCD00014801
PubChem CID: 74445

In stock

Item Number

I157613

Grouped product items
SKU	Size	Availability	Price
I157613-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$19.90
I157613-25g	25g	9	$76.90
I157613-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$273.90

View related series

amide (313) Non heterocyclic block (8163)

Basic Description

Synonyms	BRN 2045544 \| Isophthaldiamide \| 1,3-Benzenedicarboxamide \| AM20030157 \| InChI=1/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) \| Isophthalic acid diamide \| FT-0627449 \| HMS1542B16 \| TimTec1_002854 \| A811603 \| UNII-ZP57YML58I \| EINECS 21
Specifications & Purity	≥97%
Shipped In	Normal

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	Carboximidic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - 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	benzenedicarboxamide
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	benzene-1,3-dicarboxamide
INCHI	InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChIKey	QZUPTXGVPYNUIT-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(=O)N)C(=O)N
Isomeric SMILES	C1=CC(=CC(=C1)C(=O)N)C(=O)N
RTECS	CZ2201000
Molecular Weight	164.16
Beilstein	9(1)372
Reaxy-Rn	2045544
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045544&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.

3 results found

Lot Number	Certificate Type	Date	Item
J2228759	Certificate of Analysis	Sep 06, 2022	I157613
J2228648	Certificate of Analysis	Sep 06, 2022	I157613
J2228695	Certificate of Analysis	Sep 06, 2022	I157613

Chemical and Physical Properties

Molecular Weight	164.160 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.059 Da
Monoisotopic Mass	164.059 Da
Topological Polar Surface Area	86.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183.000
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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