3-Nitro-p-cresol - ≥98% , CAS No.2042-14-0

CAS: 2042-14-0 Cat. No.: N159534 Molecular Weight: 153.14 Beilstein Registry Number: 6411 EC Number: 218-044-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2(OR 4)-METHYL-3-NITROPHENOL | 3-NITRO-P-CRESOL [INCI] | F0001-2372 | DTXSID90879085 | 4-Methyl-3-nitrophenol | 4-methyl-3-nitro-phenol | MFCD00007244 | AKOS005136098 | A814539 | AC-3103 | NSC41205 | NSC-41205 | FT-0619039 | NSC 41205 | 3-NITRO-P-CRESOL |
Storage
Room temperature
Shipped In
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Size
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1g
N159534-1g
2
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5g
N159534-5g
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10g
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2
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25g
N159534-25g
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100g
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4
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500g
N159534-500g
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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-Methyl-3-nitrophenol was used as standard during the determination of nitrophenols.It was used as starting reagent during the synthesis of 1-methyl-2-nitro-4-(tetrahydropyranyloxy)benzene.

Specifications

Synonyms
2(OR 4)-METHYL-3-NITROPHENOL | 3-NITRO-P-CRESOL [INCI] | F0001-2372 | DTXSID90879085 | 4-Methyl-3-nitrophenol | 4-methyl-3-nitro-phenol | MFCD00007244 | AKOS005136098 | A814539 | AC-3103 | NSC41205 | NSC-41205 | FT-0619039 | NSC 41205 | 3-NITRO-P-CRESOL |
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488182223
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182223
Canonical SmilesCC1=C(C=C(C=C1)O)[N+](=O)[O-]
IUPAC Name4-methyl-3-nitrophenol
InChIKeyBQEXDUKMTVYBRK-UHFFFAOYSA-N
INCHI1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
Isomeric SMILES CC1=C(C=C(C=C1)O)[N+](=O)[O-]
WGK Germany 3
Molecular Weight 153.14
Beilstein 6411
Reaxy-Rn 2046650
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046650&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassNitrophenols
Intermediate Tree Nodes Not available
Direct ParentNitrophenols
Alternative Parents Nitrotoluenes  Nitrobenzenes  Para cresols  Nitroaromatic compounds  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 - Nitroaromatic compound - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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.

10 results found

Lot NumberCertificate TypeDateItem
D2628243Certificate of AnalysisMar 14, 2026 N159534
D2628246Certificate of AnalysisMar 14, 2026 N159534
L2110235Certificate of AnalysisSep 24, 2025 N159534
B1802038Certificate of AnalysisSep 24, 2025 N159534
B1802039Certificate of AnalysisSep 24, 2025 N159534
C2208392Certificate of AnalysisJan 22, 2022 N159534
C2208395Certificate of AnalysisJan 22, 2022 N159534
C2208396Certificate of AnalysisJan 22, 2022 N159534
C2208398Certificate of AnalysisJan 22, 2022 N159534
C2209034Certificate of AnalysisJan 22, 2022 N159534
Chemical and Physical Properties
SolubilitySlightly soluble in water.
Melt Point(°C)77 °C
Molecular Weight153.140 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass153.043 Da
Monoisotopic Mass153.043 Da
Topological Polar Surface Area66.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity154.000
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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