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N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] - >98.0%(T), high purity , CAS No.54455-37-7

COA

Grade & Purity:

≥98%(T)

Cas Number: 54455-37-7
Molecular Weight: 240.6
MDL number: MFCD00059889
PubChem CID: 3016883

In stock

Item Number

N405671

Grouped product items
SKU	Size	Availability	Price	Qty
N405671-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
N405671-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$409.90

Basic Description

Synonyms	N-Chloromethyl-4-nitrophthalimide \| 54455-34-4 \| N-(Chloromethyl)-4-nitrophthalimide \| 54455-37-7 \| 2-(Chloromethyl)-5-nitroisoindoline-1,3-dione \| CCRIS 7992 \| 2-(chloromethyl)-5-nitroisoindole-1,3-dione \| 4-Nitro-N-chloromethylphthalimide \| 2-(chloromethyl)-5-nitro-2,3
Specifications & Purity	≥98%(T)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines
      - Level5 Isoindolones
        Level6 Phthalimides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Isoindolones
Direct Parent	Phthalimides
Alternative Parents	Isoindoles Nitroaromatic compounds N-substituted carboxylic acid imides Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalimide - Isoindole - Nitroaromatic compound - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
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	2-(chloromethyl)-5-nitroisoindole-1,3-dione
INCHI	InChI=1S/C9H5ClN2O4/c10-4-11-8(13)6-2-1-5(12(15)16)3-7(6)9(11)14/h1-3H,4H2
InChIKey	YXMUGXUCSVUONH-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCl
Isomeric SMILES	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCl
Molecular Weight	240.6
Reaxy-Rn	1474190
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1474190&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive
Molecular Weight	240.600 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	239.994 Da
Monoisotopic Mass	239.994 Da
Topological Polar Surface Area	83.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	354.000
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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