o-Nitrotoluene - ≥99% , CAS No.88-72-2

CAS: 88-72-2 Cat. No.: N104633 분자식: C₇H₇NO₂ 분자량: 137.14 Beilstein Registry Number: 1907580 EC 번호: 201-853-3

GRADE & PURITY ≥99%

Synonyms

2-nitro toluene | NCGC00254124-01 | o-Methylnitrobenzene | O-NITROTOLUENE [MI] | o-methyl nitrobenzene | TOLUENE,2-NITRO | UN-1664 | NITROTOLUENE | FT-0613226 | AKOS000120143 | NCGC00090723-02 | STL283955 | UNII-6Q9N88YIAY | N0275 | F9995-1659 | BS-43806

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

개요

2-Nitrotoluene is a nitroaromatic compound. Multi-functional magnetic resins having high surface area and ion exchange efficiency (GMA30-1 and GMA30-2) were developed and were tested for the desorption of 2-nitrotolene. Its dioxygenation by nitrobenzene dioxygenase has been studied to evaluate the isotope fractionation. It has been reported as nitroaromatic explosive. Terbium-based magnetic metal-organic framework (MOF) nanospheres have been fabricated, which can detect the trace quantities of 2-nitrotoluene.
2-Nitrotoluene may be employed as nitrogen supplement in the culture medium of Pseudomonas sp. strain ClS1. It may be employed as carbon and energy supplement in the culture medium of Pseudomonas sp. strain JS42

Specifications

동의어

2-nitro toluene | NCGC00254124-01 | o-Methylnitrobenzene | O-NITROTOLUENE [MI] | o-methyl nitrobenzene | TOLUENE,2-NITRO | UN-1664 | NITROTOLUENE | FT-0613226 | AKOS000120143 | NCGC00090723-02 | STL283955 | UNII-6Q9N88YIAY | N0275 | F9995-1659 | BS-43806

사양 및 순도

≥99%

보관 조건

Room temperature,Desiccated

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

• Pubchem Sid: 504751207
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751207
• 정식 스마일: CC1=CC=CC=C1[N+](=O)[O-]
• IUPAC Name: 1-methyl-2-nitrobenzene
• InChIKey: PLAZTCDQAHEYBI-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
• 이성체 SMILES: CC1=CC=CC=C1[N+](=O)[O-]
• WGK 독일: 3
• RTECS: XT3150000
• UN 번호: 1664
• 포장 그룹: II
• 분자량: 137.14
• Beilstein: 1907580
• Reaxy-Rn: 1907580
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitrotoluenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: a small molecule

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

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Degree of Solubility in water: 0.44 g/l 20 °C; Miscible with Ether; Soluble in Alcohol,Benzene,Acetone,Chloroform
• 굴절률: 1.5445-1.5465
• 발화점(°F): 203℉
• 발화점(°C): 95℃
• 끓는점(°C): 222°C
• 녹는점(°C): -9°C
• 분자량: 137.140 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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