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2-Chloro-5-nitrophenyl isocyanate - ≥95%, high purity , CAS No.68622-16-2

COA

Grade & Purity:

≥95%

Cas Number: 68622-16-2
Molecular Weight: 198.57
MDL number: MFCD00037065
PubChem CID: 3602243

In stock

Item Number

B301364

Grouped product items
SKU	Size	Availability	Price
B301364-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$449.90
B301364-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
B301364-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
B301364-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,509.90

Discover 2-Chloro-5-nitrophenyl isocyanate by Aladdin Scientific in ≥95% for only $21.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Chloro-5-nitrophenyl isocyanate \| 68622-16-2 \| 1-chloro-2-isocyanato-4-nitrobenzene \| 2-chloro-5-nitrophenylisocyanate \| SCHEMBL1940462 \| DTXSID80394055 \| DZMSHKRHIIDOIZ-UHFFFAOYSA-N \| AKOS017345074 \| 1-chloranyl-2-isocyanato-4-nitro-benzene \| 2-Chloro-5-nitrophenyl isoc
Specifications & Purity	≥95%
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 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	1-chloro-2-isocyanato-4-nitrobenzene
INCHI	InChI=1S/C7H3ClN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-3H
InChIKey	DZMSHKRHIIDOIZ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1[N+](=O)[O-])N=C=O)Cl
Isomeric SMILES	C1=CC(=C(C=C1[N+](=O)[O-])N=C=O)Cl
Molecular Weight	198.57
Reaxy-Rn	6506805
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6506805&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	3.300
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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