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2-Methoxy-4-nitrophenyl isothiocyanate - 97%, high purity , CAS No.190774-55-1

COA

Grade & Purity:

≥97%

Cas Number: 190774-55-1
Molecular Weight: 210.21
Beilstein Registry Number: 6924925
MDL number: MFCD00041379
PubChem CID: 610837

In stock

Item Number

M140521

Grouped product items
SKU	Size	Availability	Price	Qty
M140521-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
M140521-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$388.90

Discover 2-Methoxy-4-nitrophenyl isothiocyanate by Aladdin Scientific in 97% for only $103.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Methoxy-4-nitrophenyl isothiocyanate \| 190774-55-1 \| 1-Isothiocyanato-2-methoxy-4-nitrobenzene \| Benzene, 1-isothiocyanato-2-methoxy-4-nitro- \| MFCD00041379 \| 1-isothiocyanato-2-methoxy-4-nitro-benzene \| SCHEMBL1147547 \| DTXSID10346269 \| 2-methoxy4-nitrophenyl isothioc
Specifications & Purity	≥97%
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	Nitrophenyl ethers
Alternative Parents	Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Isothiocyanate - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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-isothiocyanato-2-methoxy-4-nitrobenzene
INCHI	InChI=1S/C8H6N2O3S/c1-13-8-4-6(10(11)12)2-3-7(8)9-5-14/h2-4H,1H3
InChIKey	NXWXXLFRMVILJN-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
Isomeric SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
WGK Germany	3
Molecular Weight	210.21
Beilstein	6924925
Reaxy-Rn	6924925
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6924925&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Melt Point(°C)	106-109°C(lit.)
Molecular Weight	210.210 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	210.01 Da
Monoisotopic Mass	210.01 Da
Topological Polar Surface Area	99.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	260.000
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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