3-Nitro-o-cresol - ≥96% , CAS No.5460-31-1

CAS: 5460-31-1 Cat. No.: N159532 Fórmula: C7H7NO3 Peso molecular: 153.14 Beilstein Registry Number: 1946060 Número EC: 226-739-0
Disponible para pedir
GRADE & PURITY ≥96%
Synonyms
AM20040685 | 2-Hydroxy-6-nitrotoluene; 3-Nitro-o-cresol | MFCD00007241 | NITROCRESOL | 3-Nitro-o-cresol | DTXSID00203034 | 2-Methyl-3-nitrophenol | 2-methyl-3-nitro-phenol | SCHEMBL309952 | Phenol, 2-methyl-3-nitro- | Z415740538 | EN300-41529 | PS-4519 |
Storage
Room temperature
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
1g
N159532-1g
—
5 Disponible

10,33€

15,53€
Guardar 5,21 € (33.52%)
5g
N159532-5g
—
5 Disponible

12,93€

19,87€
Guardar 6,94 € (34.93%)
10g
N159532-10g
—
5 Disponible

15,53€

23,34€
Guardar 7,81 € (33.46%)
25g
N159532-25g
—
3 Disponible

19,00€

28,55€
Guardar 9,55 € (33.43%)
100g
N159532-100g
—
5 Disponible

61,52€

92,76€
Guardar 31,24 € (33.68%)
500g
N159532-500g
Fabricado bajo pedido · 8–12 semanas

228,13€

342,67€
Guardar 114,54 € (33.43%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

Descripción general

2-Methyl-3-nitrophenol was used as internal standard to develop a method for measurement of stable isotope ratio of methylnitrophenols in atmospheric particulate matter.

Specifications

Sinónimos
AM20040685 | 2-Hydroxy-6-nitrotoluene; 3-Nitro-o-cresol | MFCD00007241 | NITROCRESOL | 3-Nitro-o-cresol | DTXSID00203034 | 2-Methyl-3-nitrophenol | 2-methyl-3-nitro-phenol | SCHEMBL309952 | Phenol, 2-methyl-3-nitro- | Z415740538 | EN300-41529 | PS-4519 |
Especificaciones y pureza
≥96%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥96%
Nombres e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185749
Sonrisas canónicas
CC1=C(C=CC=C1O)[N+](=O)[O-]
IUPAC Name
2-methyl-3-nitrophenol
InChIKey
GAKLFAZBKQGUBO-UHFFFAOYSA-N
INCHI
1S/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3
Isómeros SMILES
CC1=C(C=CC=C1O)[N+](=O)[O-]
WGK Alemania
3
Número ONU
2446
Grupo de embalaje
III
Peso molecular
153.14
Beilstein
1946060
Reaxy-Rn
1946057
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1946057&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
ClasePhenols
SubclassNitrophenols
Intermediate Tree Nodes Not available
Direct ParentNitrophenols
Alternative Parents Nitrotoluenes  Nitrobenzenes  Ortho cresols  Nitroaromatic compounds  1-hydroxy-4-unsubstituted benzenoids  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 - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 TypeFechaArticulo
B2219255Certificate of AnalysisDec 22, 2025 N159532
B2219259Certificate of AnalysisDec 22, 2025 N159532
B2219263Certificate of AnalysisDec 22, 2025 N159532
B2219265Certificate of AnalysisDec 22, 2025 N159532
B2219273Certificate of AnalysisDec 22, 2025 N159532
K1716017Certificate of AnalysisJun 10, 2025 N159532
F2424526Certificate of AnalysisJun 27, 2024 N159532
E2422540Certificate of AnalysisApr 16, 2024 N159532
E2422541Certificate of AnalysisApr 16, 2024 N159532
B2221128Certificate of AnalysisJan 10, 2022 N159532
Propiedades químicas y físicas
Punto de fusión (°C)146-148°C
Peso molecular153.140 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
Calculadoras de soluciones
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