4-(Difluoromethoxy)nitrobenzene - ≥98% , CAS No.1544-86-1

CAS: 1544-86-1 Cat. No.: D123688 Molecular Weight: 189.12 EC Number: 633-854-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
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
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D123688-5g
1
$17.90
25g
D123688-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$43.90
100g
D123688-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$171.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

4-(Difluoromethoxy)nitrobenzene (1-(difluoromethoxy)-4-nitrobenzene) can be synthesized by reacting 4-nitrophenol with KOH, water and methanol.

Specifications

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%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504761350
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504761350
Canonical SmilesC1=CC(=CC=C1[N+](=O)[O-])OC(F)F
IUPAC Name1-(difluoromethoxy)-4-nitrobenzene
InChIKeySVGGBARCOQPYMV-UHFFFAOYSA-N
INCHI1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrophenyl 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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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 NumberCertificate TypeDateItem
D1727039Certificate of AnalysisNov 04, 2024 D123688
Chemical and Physical Properties
Boil Point(°C)108-110°C
Melt Point(°C)31.0-34.0°C
Molecular Weight189.120 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass189.024 Da
Monoisotopic Mass189.024 Da
Topological Polar Surface Area55.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity175.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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