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2-Nitro-p-xylylene Glycol - >95.0%(GC), high purity , CAS No.23222-97-1

COA

Grade & Purity:

≥95%(GC)

Cas Number: 23222-97-1
Molecular Weight: 183.16
MDL number: MFCD00024286
PubChem CID: 90035

In stock

Item Number

N159778

Grouped product items
SKU	Size	Availability	Price
N159778-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
N159778-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
N159778-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$230.90

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Diol monomer (70) Oxygenated compounds (806)

Basic Description

Synonyms	CS-0182167 \| FT-0638306 \| 2-Nitro-p-xylene-alpha,alpha'-diol \| AKOS015833506 \| UNII-68D3YD7DF4 \| EINECS 245-503-8 \| [4-(HYDROXYMETHYL)-2-NITROPHENYL]METHANOL \| 2-Nitro-p-xylylene Glycol, >/=95% \| SY106165 \| 1,4-Benzenedimethanol,2-nitro- \| A878304 \| [4-(h
Specifications & Purity	≥95%(GC)
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 Benzyl alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Benzyl alcohol - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Hydrocarbon derivative - Organic zwitterion - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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	[4-(hydroxymethyl)-3-nitrophenyl]methanol
INCHI	InChI=1S/C8H9NO4/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-3,10-11H,4-5H2
InChIKey	KWVHOBYJXDKIPL-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1CO)[N+](=O)[O-])CO
Isomeric SMILES	C1=CC(=C(C=C1CO)[N+](=O)[O-])CO
Molecular Weight	183.16
Reaxy-Rn	10250075
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10250075&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
Melt Point(°C)	95 °C
Molecular Weight	183.160 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	183.053 Da
Monoisotopic Mass	183.053 Da
Topological Polar Surface Area	86.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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