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Carbonic Acid 4-Nitro-Phenyl Ester 1-Chloro-Ethyl Ester - ≥98%, high purity , CAS No.101623-69-2

COA

Grade & Purity:

≥98%

Cas Number: 101623-69-2
Molecular Weight: 245.61
PubChem CID: 10538354

In stock

Item Number

C724821

Grouped product items
SKU	Size	Availability	Price
C724821-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
C724821-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90
C724821-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$439.90

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	Phenoxy compounds Nitroaromatic compounds Carbonic acid diesters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Carbonic acid diester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic salt - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Carbonyl group - Organic nitrogen compound - 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-chloroethyl (4-nitrophenyl) carbonate
INCHI	InChI=1S/C9H8ClNO5/c1-6(10)15-9(12)16-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
InChIKey	DXVQFTPXVZUWIF-UHFFFAOYSA-N
Smiles	CC(OC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Cl
Isomeric SMILES	CC(OC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Cl
PubChem CID	10538354
Molecular Weight	245.61

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.610 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	245.009 Da
Monoisotopic Mass	245.009 Da
Topological Polar Surface Area	81.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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