3,5-dimethyl-4-nitrophenol - ≥97% , CAS No.5344-97-8

CAS: 5344-97-8 Cat. No.: D634059 Molecular Weight: 167.16 EC Number: 963-186-0 PubChem CID: 138466
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
Z1255485872 | 3,5-DIMETHYL-4-NITROPHENOL | 3,5-dimethyl-4-nitro-phenol | NSC2985 | NSC-2985 | 3,5-Xylenol, 4-nitro- | DTXSID50201606 | SY034419 | FT-0755546 | NSC 2985 | SCHEMBL487041 | 3,5-Xylenol, 4-nitro-, | CK1186 | EN300-333614 | Phenol, 3,5-dimethyl
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
Size
Status
Price
Qty
1g
D634059-1g
2

$9.90

$14.90
Save $5.00 (33.56%)
5g
D634059-5g
2

$10.90

$16.90
Save $6.00 (35.50%)
25g
D634059-25g
2

$37.90

$56.90
Save $19.00 (33.39%)
100g
D634059-100g
1

$124.90

$187.90
Save $63.00 (33.53%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
Z1255485872 | 3, 5-DIMETHYL-4-NITROPHENOL | 3, 5-dimethyl-4-nitro-phenol | NSC2985 | NSC-2985 | 3, 5-Xylenol, 4-nitro- | DTXSID50201606 | SY034419 | FT-0755546 | NSC 2985 | SCHEMBL487041 | 3, 5-Xylenol, 4-nitro-, | CK1186 | EN300-333614 | Phenol, 3, 5-dimethyl
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid528758008
Canonical SmilesCC1=CC(=CC(=C1[N+](=O)[O-])C)O
IUPAC Name3,5-dimethyl-4-nitrophenol
InChIKeyMMLPWOHLKRXZJA-UHFFFAOYSA-N
INCHI1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3
Isomeric SMILES CC1=CC(=CC(=C1[N+](=O)[O-])C)O
Alternate CAS 5344-97-8
PubChem CID 138466
NSC Number 2985
Molecular Weight 167.16

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassNitrophenols
Intermediate Tree Nodes Not available
Direct ParentNitrophenols
Alternative Parents Nitrotoluenes  Nitrobenzenes  m-Xylenes  Nitroaromatic compounds  Meta cresols  1-hydroxy-2-unsubstituted benzenoids  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrophenol - Nitrobenzene - Nitrotoluene - M-cresol - Nitroaromatic compound - Xylene - M-xylene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
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.

8 results found

Lot NumberCertificate TypeDateItem
G2515291Certificate of AnalysisMay 08, 2025 D634059
G2515292Certificate of AnalysisMay 08, 2025 D634059
G2515293Certificate of AnalysisMay 08, 2025 D634059
G2515294Certificate of AnalysisMay 08, 2025 D634059
G2515295Certificate of AnalysisMay 08, 2025 D634059
G2515296Certificate of AnalysisMay 08, 2025 D634059
G2515297Certificate of AnalysisMay 08, 2025 D634059
G2515298Certificate of AnalysisMay 08, 2025 D634059
Chemical and Physical Properties
Sensitivitylight sensitive
Molecular Weight167.160 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass167.058 Da
Monoisotopic Mass167.058 Da
Topological Polar Surface Area66.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity166.000
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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