4-Methyl-2-nitrophenol - ≥98% , CAS No.119-33-5

CAS: 119-33-5 Cat. No.: M107573 Formula: C₇H₇NO₃ Peso molecolare: 153.14 Beilstein Registry Number: 6412 Numero EC: 204-315-6

GRADE & PURITY ≥98%

Synonyms

2-Nitro-4-cresol | EINECS 204-315-6 | MFCD00007120 | P92KPK2NL3 | AC-11583 | 2-Nitro-4-methylphenol | AI3-15389 | Phenol, 4-methyl-2-nitro- | 4-Hydroxy-3-nitrotoluene | NSC 5387 | STR03111 | DB04110 | O-NITRO-P-METHYLPHENOL | AKOS001094378 | NCGC00258487-

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

2-Nitro-4-cresol | EINECS 204-315-6 | MFCD00007120 | P92KPK2NL3 | AC-11583 | 2-Nitro-4-methylphenol | AI3-15389 | Phenol, 4-methyl-2-nitro- | 4-Hydroxy-3-nitrotoluene | NSC 5387 | STR03111 | DB04110 | O-NITRO-P-METHYLPHENOL | AKOS001094378 | NCGC00258487-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

FedEx DG Service

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504751662

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751662

Sorrisi canonici

CC1=CC(=C(C=C1)O)[N+](=O)[O-]

IUPAC Name

4-methyl-2-nitrophenol

InChIKey

SYDNSSSQVSOXTN-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3

Isomeri SMILES

CC1=CC(=C(C=C1)O)[N+](=O)[O-]

WGK Germania

2

RTECS

GP2800000

Numero UN

2446

Gruppo di imballaggio

III

Peso molecolare

153.14

Beilstein

6412

Reaxy-Rn

1868022

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• 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 Framework: Aromatic 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
• Descrizione: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Punto di congelamento (°C): 32 °C
• Punto di infiammabilità (°F): 108°C(226°F)
• Punto di infiammabilità (°C): 108°C(226°F)
• Punto di ebollizione (°C): 234°C
• Punto di fusione (°C): 32-35°C
• Peso molecolare: 153.140 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 119-33-5, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey SYDNSSSQVSOXTN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.