2-Methyl-2-nitropropane - ≥98%(GC) , CAS No.594-70-7

CAS: 594-70-7 Cat. No.: M157780 Formule: C₄H₉NO₂ Poids moléculaire: 103.12 Beilstein Registry Number: 1(4)301 Numéro CE: 209-851-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

EINECS 209-851-4 | NSC3651 | NSC-3651 | D91469 | EN300-818759 | CCRIS 5044 | 9DKH5L679Z | InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H | MFCD00007393 | 2-METHYL-2-NITROPROPANE | 2-methyl-2-nitro-propane | tert-BuNO2 | 2-Methyl-2-nitropropane, 99% | DTXSID0060488

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Photodissociation of 2-methyl-2-nitropropane at 193 and 248nm leads to the formation of OH fragment and electronically excited NO2. Hydrolysis reaction of 2-methyl-2-nitropropane in the presence of platinum-alumina catalyst yields N2O.

Spécifications

Synonymes

EINECS 209-851-4 | NSC3651 | NSC-3651 | D91469 | EN300-818759 | CCRIS 5044 | 9DKH5L679Z | InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H | MFCD00007393 | 2-METHYL-2-NITROPROPANE | 2-methyl-2-nitro-propane | tert-BuNO2 | 2-Methyl-2-nitropropane, 99% | DTXSID0060488

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504752175

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752175

Sourires canoniques

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

IUPAC Name

2-methyl-2-nitropropane

InChIKey

AIMREYQYBFBEGQ-UHFFFAOYSA-N

INCHI

1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

103.12

Beilstein

1(4)301

Reaxy-Rn

1744184

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744184&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: C-nitro compounds
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in ether, ethanol, benzene, insoluble in water.
• Indice de réfraction: 1.4
• Point d'éclair (°F): 66.2 °F
• Point d'éclair (°C): 19 °C
• Point d'ébullition (°C): 126-127 °C
• Point de fusion (°C): 24 °C
• Poids moléculaire: 103.120 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.700
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 594-70-7, the molecular formula is C4H9NO2, and the molecular weight is 103.12 g/mol. InChIKey AIMREYQYBFBEGQ-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.