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4-Chloronitrobenzene-d4 , CAS No.68239-23-6

COA

Grade & Purity:

≥98%(CP),≥98 atom% D

Cas Number: 68239-23-6
Molecular Weight: 161.58
PubChem CID: 109897

In stock

Item Number

C757559

Grouped product items
SKU	Size	Availability	Price
C757559-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
C757559-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90
C757559-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

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Stable Isotopes (128)

Basic Description

Synonyms	1-Chloro-4-nitrobenzene-d4 \| 1-Nitro-4-chlorobenzene-d4 \| 4-Chloro-1-nitrobenzene-d4 \| 4-Nitro-1-chlorobenzene-d4 \| 4-Nitrochlorobenzene-d4 \| 4-Nitrophenyl-d4 Chloride \| NSC 9792-d4 \| PNCB-d4 \| p-Chloronitrobenzene-d4 \| p-Nitrochlorobenzene-d4 \| p-Nitroph
Specifications & Purity	≥98%(CP),≥98 atom% D
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 Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	1-chloro-2,3,5,6-tetradeuterio-4-nitrobenzene
INCHI	InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1D,2D,3D,4D
InChIKey	CZGCEKJOLUNIFY-RHQRLBAQSA-N
Smiles	C1=CC(=CC=C1[N+](=O)[O-])Cl
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[N+](=O)[O-])[2H])[2H])Cl)[2H]
Alternate CAS	100-00-5（unlabelled）
Molecular Weight	161.58
Reaxy-Rn	508691
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508691&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.580 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.018 Da
Monoisotopic Mass	161.018 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126.000
Isotope Atom Count	4
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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