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4-Chloro-1-Isocyanato-2-Nitrobenzene - 95%, high purity , CAS No.28162-63-2

COA

Grade & Purity:

≥95%

Cas Number: 28162-63-2
Molecular Weight: 198.56
MDL number: MFCD00014700
PubChem CID: 4247257

In stock

Item Number

B300679

Grouped product items
SKU	Size	Availability	Price	Qty
B300679-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
B300679-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90

Discover 4-Chloro-1-Isocyanato-2-Nitrobenzene by Aladdin Scientific in 95% for only $55.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Chloro-2-nitrophenyl isocyanate \| 28162-63-2 \| 4-chloro-1-isocyanato-2-nitrobenzene \| 4-Chloro-2-nitrophenylisocyanate \| SCHEMBL3842281 \| DTXSID30401187 \| YGIAUMJEBFXUDO-UHFFFAOYSA-N \| (4-chloro-2-nitrophenyl)isocyanate \| AKOS005202355 \| AKOS015916605 \| 4-chloranyl-1-isocy
Specifications & Purity	≥95%
Shipped In	Normal

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 Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - Isocyanate - 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 - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - 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	4-chloro-1-isocyanato-2-nitrobenzene
INCHI	InChI=1S/C7H3ClN2O3/c8-5-1-2-6(9-4-11)7(3-5)10(12)13/h1-3H
InChIKey	YGIAUMJEBFXUDO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)[N+](=O)[O-])N=C=O
Isomeric SMILES	C1=CC(=C(C=C1Cl)[N+](=O)[O-])N=C=O
Molecular Weight	198.56
Reaxy-Rn	2725484
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2725484&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	198.560 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	197.983 Da
Monoisotopic Mass	197.983 Da
Topological Polar Surface Area	75.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	247.000
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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