Skip to the beginning of the images gallery

4-(Difluoromethoxy)nitrobenzene - ≥98.0%, high purity , CAS No.1544-86-1

COA

Grade & Purity:

≥98%

Cas Number: 1544-86-1
Molecular Weight: 189.12
MDL number: MFCD00085009
PubChem CID: 2737014
PubChem SID: 504761350

In stock

Item Number

D123688

Grouped product items
SKU	Size	Availability	Price
D123688-5g	5g	1	$54.90
D123688-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$243.90
D123688-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$877.90

View related series

Element classified compounds (2014) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	AKOS025293399 \| D2601 \| A809543 \| SCHEMBL6194967 \| 4-Nitro-alpha,alpha-difluoroanisole \| DTXSID30371770 \| J-009109 \| SB85465 \| STL558614 \| AKOS001117023 \| 4-difluoromethoxynitrobenzene \| 4-(Difluoromethoxy)nitrobenzene \| SVGGBARCOQPYMV-UHFFFAOYSA- \| FT-06
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	4-(Difluoromethoxy)nitrobenzene (1-(difluoromethoxy)-4-nitrobenzene) can be synthesized by reacting 4-nitrophenol with KOH, water and methanol.

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	Phenoxy compounds Phenol ethers Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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

Pubchem Sid	504761350
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761350
IUPAC Name	1-(difluoromethoxy)-4-nitrobenzene
INCHI	InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
InChIKey	SVGGBARCOQPYMV-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1[N+](=O)[O-])OC(F)F
Isomeric SMILES	C1=CC(=CC=C1[N+](=O)[O-])OC(F)F
WGK Germany	3
Molecular Weight	189.12
Reaxy-Rn	2102179
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102179&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
D1727039	Certificate of Analysis	Nov 04, 2024	D123688

Chemical and Physical Properties

Boil Point(°C)	108-110°C
Melt Point(°C)	31.0-34.0°C
Molecular Weight	189.120 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	189.024 Da
Monoisotopic Mass	189.024 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration