1-Nitropropane - ≥98% , CAS No.108-03-2

CAS: 108-03-2 Cat. No.: N109053 Summenformel: C₃H₇NO₂ Molekulargewicht: 89.09 Beilstein Registry Number: 506236 EG-Nummer: 203-544-9

GRADE & PURITY ≥98%

Synonyms

N0248 | NCGC00259838-01 | Propane, 1-nitro- | 1-NITROPROPANE [INCI] | 1-Nitropropane, >=98.5% | CCRIS 1329 | NCGC00091712-01 | NSC6363 | NSC-6363 | CHEBI:76261 | 3-nitropropane | N-Nitropropane | BBL011437 | NCGC00091712-02 | STL146545 | Tox21_303024 | 1-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

N0248 | NCGC00259838-01 | Propane, 1-nitro- | 1-NITROPROPANE [INCI] | 1-Nitropropane, >=98.5% | CCRIS 1329 | NCGC00091712-01 | NSC6363 | NSC-6363 | CHEBI:76261 | 3-nitropropane | N-Nitropropane | BBL011437 | NCGC00091712-02 | STL146545 | Tox21_303024 | 1-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488180605
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180605
• Kanonisches Lächeln: CCC[N+](=O)[O-]
• IUPAC Name: 1-nitropropane
• InChIKey: JSZOAYXJRCEYSX-UHFFFAOYSA-N
• INCHI: 1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
• Isomere SMILES: CCC[N+](=O)[O-]
• WGK Deutschland: 1
• RTECS: TZ5075000
• UN-Nummer: 2608
• Verpackungsgruppe: III
• Molekulargewicht: 89.09
• Beilstein: 506236
• Reaxy-Rn: 506236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506236&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: 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
• Beschreibung: 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: 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

Zugehörige Ziele (menschlich)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water. Miscible in ether, chloroform, alcohol
• Brechungsindex: 1.4016
• Flammpunkt (°F): 95 °F
• Flammpunkt (°C): 35°C
• Siedepunkt (°C): 131°C
• Molekulargewicht: 89.090 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 89.0477 Da
• Monoisotopic Mass: 89.0477 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 47.200
• 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

Referenzen

1. Tao Sun, Qiuchen Huang, Wei Zhang, Ruonan Chen, Wei Li, Haipeng Chen, Shaoqiang Hu, Zhiqiang Cai.  (2022)  Performance and selectivity of amphiphilic pillar[5]arene as stationary phase for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35390736] [10.1016/j.chroma.2022.463008]

2. Ruijuan Duan, Meiling Qi.  (2022)  Separation performance of pentiptycene-functionalized triblock copolymers towards the isomers of xylenes, phenols and anilines and the complex components in essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35278809] [10.1016/j.chroma.2022.462927]

3. Xiaomin Shuai, Zhiqiang Cai, Yujie Chen, Xinyu Zhao, Qianqian Song, Kaixin Ren, Xingxing Jiang, Tao Sun, Shaoqiang Hu.  (2020)  Separation performance of p-nitro-octadecyloxy-calix[8]arene as stationary phases for capillary gas chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.105124]

4. Tiantian Shi, Meiling Qi, Xuebin Huang.  (2019)  High-resolution performance of triptycene functionalized with polycaprolactones for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31761436] [10.1016/j.chroma.2019.460714]

5. Jianlin Peng, Meiling Qi.  (2018)  Poly(3-hexylthiophene) stationary phase for gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30031537] [10.1016/j.chroma.2018.07.047]

6. Qiaochu Zhang, Meiling Qi, Jinliang Wang.  (2017)  Star-shaped oligothiophene-functionalized truxene materials as stationary phases for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29061474] [10.1016/j.chroma.2017.10.028]

7. Jianlin Peng, Yan Zhang, Xiaohong Yang, Meiling Qi.  (2016)  High-resolution separation performance of poly(caprolactone)diol for challenging isomers of xylenes, phenols and anilines by capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27608617] [10.1016/j.chroma.2016.09.005]

8. Jianlin Peng, Yonggang Shi, Zhishuai Yang, Meiling Qi, Feng Wang.  (2016)  Performance and selectivity of dicyanuric-functionalized polycaprolactone as stationary phase for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27597139] [10.1016/j.chroma.2016.08.070]

9. Yunzhong Zheng, Meiling Qi, Ruonong Fu.  (2016)  Graphitic carbon nitride as high-resolution stationary phase for gas chromatographic separations.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27266332] [10.1016/j.chroma.2016.05.073]

10. Wen-Chao Deng, Hai-Long Qian, Cheng Yang, Shu-Ting Xu, Xiu-Ping Yan.  (2023)  General Two-Step Method for the Fabrication of Covalent-Organic Framework-Bound Open-Tubular Capillary Columns for High-Resolution Gas Chromatography Separation of Isomers.  ACS Applied Materials & Interfaces,      [PMID:37963803] [10.1021/acsami.3c13853]

Häufig gestellte Fragen

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 108-03-2, the molecular formula is C3H7NO2, and the molecular weight is 89.09 g/mol. InChIKey JSZOAYXJRCEYSX-UHFFFAOYSA-N.

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.