2,5-dimethyl-4-nitrophenol - ≥98% , CAS No.3139-05-7

CAS: 3139-05-7 Cat. No.: D333669 Formule: C8H9NO3 Poids moléculaire: 167.16 Numéro CE: 963-348-0
DISPONIBLE À COMMANDE
GRADE & PURITY ≥98%
Synonyms
NSC135201 | NSC-135201 | 2,5-Dimethyl-4-nitrophenol | 4-Nitro-3,6-xylenol | DS-14510 | AM20061128 | DTXSID40300177 | 4-nitro-2,5-dimethylphenol | 4-nitro-2,5-xylenol | 2,5-dimethyl-4-hydroxynitrobenzene | SY005033 | CK1187 | F0001-0945 | Phenol, 2,5-dimet
Storage
Room temperature
Shipped In
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
1g
D333669-1g
—
5 En stock

8,59€

12,93€
Enregistrer 4,34 € (33.56%)
5g
D333669-5g
—
En stock ≥10

29,42€

44,17€
Enregistrer 14,75 € (33.40%)
25g
D333669-25g
—
5 En stock

122,26€

183,87€
Enregistrer 61,61 € (33.51%)
100g
D333669-100g
1 En stock
1 En stock

369,57€

554,40€
Enregistrer 184,83 € (33.34%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% 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.

Specifications

Synonymes
NSC135201 | NSC-135201 | 2,5-Dimethyl-4-nitrophenol | 4-Nitro-3,6-xylenol | DS-14510 | AM20061128 | DTXSID40300177 | 4-nitro-2,5-dimethylphenol | 4-nitro-2,5-xylenol | 2,5-dimethyl-4-hydroxynitrobenzene | SY005033 | CK1187 | F0001-0945 | Phenol, 2,5-dimet
Spécifications et pureté
≥98%
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Pureté
≥98%
Noms et identifiants
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508807766
Sourires canoniques
CC1=CC(=C(C=C1O)C)[N+](=O)[O-]
IUPAC Name
2,5-dimethyl-4-nitrophenol
InChIKey
DSWZKAODNLLINU-UHFFFAOYSA-N
INCHI
1S/C8H9NO3/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,10H,1-2H3
Isomères SMILES
CC1=CC(=C(C=C1O)C)[N+](=O)[O-]
Poids moléculaire
167.16
Reaxy-Rn
2092463
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092463&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
ClassePhenols
SubclassNitrophenols
Intermediate Tree Nodes Not available
Direct ParentNitrophenols
Alternative Parents p-Xylenols  Nitrotoluenes  Nitrobenzenes  p-Xylenes  Ortho cresols  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 - Xylenol - P-xylenol - M-cresol - P-xylene - Xylene - Nitroaromatic compound - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

4 results found

Lot NumberCertificate TypeDateArticle
F2204197Certificate of AnalysisMar 03, 2025 D333669
F2204216Certificate of AnalysisMar 03, 2025 D333669
F2204230Certificate of AnalysisMar 03, 2025 D333669
F2204231Certificate of AnalysisMar 03, 2025 D333669
Propriétés chimiques et physiques
Indice de réfractionn20D1.59 (Predicted)
Point d'ébullition (°C)~316.1° C at 760 mmHg (Predicted)
Point de fusion (°C)96.65° C (Predicted)
Poids moléculaire167.160 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
Complexity178.000
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
Calculateurs de solution
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