1,3,3-Trimethyl-2-methyleneindoline - for paper chromatography, ≥98.5% , CAS No.118-12-7

CAS: 118-12-7 Cat. No.: T107297 Peso molecular: 173.25 Beilstein Registry Number: 131162 Número EC: 204-235-1 PubChem CID: 8351

GRADE & PURITY ≥98.5%

Synonyms

1,3,3-Trimethyl-2-methyleneindoline|118-12-7|Fischer's base|Fischer base|2-Methylene-1,3,3-trimethylindoline|1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-|Fischer's methylene base|NSC 66176|1,3,3-trimethyl-2-methylideneindole|Fischers Base|Indoline,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3, 3-Trimethyl-2-methyleneindoline | 118-12-7 | Fischer's base | Fischer base | 2-Methylene-1, 3, 3-trimethylindoline | 1H-Indole, 2, 3-dihydro-1, 3, 3-trimethyl-2-methylene- | Fischer's methylene base | NSC 66176 | 1, 3, 3-trimethyl-2-methylideneindole | Fischers Base | Indoline,

Especificaciones y pureza

for paper chromatography, ≥98.5%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98.5%

Nombres e identificadores

• Pubchem Sid: 488180759
• Sonrisas canónicas: CC1(C(=C)N(C2=CC=CC=C21)C)C
• IUPAC Name: 1,3,3-trimethyl-2-methylideneindole
• InChIKey: ZTUKGBOUHWYFGC-UHFFFAOYSA-N
• INCHI: 1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
• Isómeros SMILES: CC1(C(=C)N(C2=CC=CC=C21)C)C
• WGK Alemania: 2
• RTECS: NM1926500
• PubChem CID: 8351
• Número ONU: 3082
• Peso molecular: 173.25
• Beilstein: 131162
• Reaxy-Rn: 131162

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Tertiary alkylarylamines Benzenoids Enamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Tertiary aliphatic/aromatic amine - Benzenoid - Tertiary amine - Azacycle - Enamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.577
• Punto de inflamación (°F): 145.4 °F
• Punto de inflamación (°C): 94℃
• Punto de ebullición (°C): 248°C
• Punto de fusión (°C): -8°C
• Peso molecular: 173.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.12 Da
• Monoisotopic Mass: 173.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 229.000
• 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

Referencias

1. Shixun Wu, Ji Fan, Wei Wang, Dan Yu.  (2021)  Smart screen-printed photochromic fabrics with fast color switching performance and high fatigue resistance for energy storage applications.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.127760]

2. Peng Linghui, Guo Ronghui, Jiang Shouxiang, Lan Jianwu, He Yongfeng, Huang Xuemei.  (2015)  Ultrasound-aided dyeing of cotton fabric with spirooxazines and photochromic properties.  FIBERS AND POLYMERS,  16  (6): (1312-1318).  [PMID:] [10.1007/s12221-015-1312-2]

3. Yanghang Liu, Heyu Zhang, Tao Zhang, Yuefei Ding, Siqi Zhang, Dan Yu, Wei Wang.  (2024)  Highly sensitive photochromic aerogel sensor for acidic gas detection based on SP/WPU/CNF composite materials.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127963]