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Dimethyl 4-nitrophthalate - ≥98%, high purity , CAS No.610-22-0

COA

Grade & Purity:

≥98%

Cas Number: 610-22-0
Molecular Weight: 239.18
Beilstein Registry Number: 1886234
EC Number: 210-212-7
MDL number: MFCD00017191
PubChem CID: 69119
PubChem SID: 504754339

In stock

Item Number

D139074

Grouped product items
SKU	Size	Availability	Price
D139074-1g	1g	3	$29.90
D139074-5g	5g	3	$132.90
D139074-10g	10g	3	$238.90
D139074-25g	25g	3	$536.90
D139074-100g	100g	3	$1,932.90
D139074-500g	500g	1	$8,694.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	AI3-09347 \| SCHEMBL1403472 \| 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester \| 4-nitrophthalic acid dimethyl-ester \| Dimethyl 4-nitrophthalate, 98% \| AS-14716 \| W-105209 \| MFCD00017191 \| D4424 \| SY020878 \| 1,2-Dimethyl 4-nitrophthalate \| 4-nitr
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Application: 1,2-Dimethyl 4-nitrophthalate is a key intermediate for the synthesis of N-hydroxyphthalimide.

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	Nitrobenzoic acids and derivatives
Alternative Parents	Benzoic acid esters Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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	504754339
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754339
IUPAC Name	dimethyl 4-nitrobenzene-1,2-dicarboxylate
INCHI	InChI=1S/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3
InChIKey	XWBDWELWBUWSNI-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Isomeric SMILES	COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
WGK Germany	3
Molecular Weight	239.18
Beilstein	1886234
Reaxy-Rn	1886234
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1886234&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
J2226358	Certificate of Analysis	Aug 16, 2024	D139074
J2226357	Certificate of Analysis	Aug 16, 2024	D139074
J2226363	Certificate of Analysis	Aug 16, 2024	D139074
J2226362	Certificate of Analysis	Aug 16, 2024	D139074
J2226361	Certificate of Analysis	Aug 16, 2024	D139074
J2226332	Certificate of Analysis	Aug 16, 2024	D139074

Chemical and Physical Properties

Solubility	Soluble in Toluene
Boil Point(°C)	195 °C/25 mmHg
Melt Point(°C)	67 °C
Molecular Weight	239.180 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	239.043 Da
Monoisotopic Mass	239.043 Da
Topological Polar Surface Area	98.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	323.000
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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