1,3,3-Trimethylindolino-6'-nitrobenzopyrylospiran [Photochromic Compound] - ≥98% , CAS No.1498-88-0

CAS: 1498-88-0 Cat. No.: T162814 Molecular Weight: 322.36 EC Number: 216-102-5 PubChem CID: 99766

GRADE & PURITY ≥98%

Synonyms

1',3',3'-Trimethyl-6-nitrospiro[1(2H)-benzopyran-2,2'-indoline] | 1′,3′,3′-trimethyl-6-nitrospiro[chromene-2,2′-indole] | 1,3,3-Trimethylindolino-6′-nitrobenzopyrylospiran | 1′,3′,3′-Trimethyl-6-nitrospiro[chromene-2,2′-indoline]

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Photochromic spiropyran dye.

Specifications

Synonyms

1', 3', 3'-Trimethyl-6-nitrospiro[1(2H)-benzopyran-2, 2'-indoline] | 1′, 3′, 3′-trimethyl-6-nitrospiro[chromene-2, 2′-indole] | 1, 3, 3-Trimethylindolino-6′-nitrobenzopyrylospiran | 1′, 3′, 3′-Trimethyl-6-nitrospiro[chromene-2, 2′-indoline]

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187197
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187197
• Canonical Smiles: CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C
• IUPAC Name: 1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
• InChIKey: PSXPTGAEJZYNFI-UHFFFAOYSA-N
• INCHI: 1S/C19H18N2O3/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3
• Isomeric SMILES: CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C
• RTECS: WG9810000
• PubChem CID: 99766
• Molecular Weight: 322.36
• Reaxy-Rn: 40498

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Indoles and derivatives Nitroaromatic compounds Dialkylarylamines Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Indole or derivatives - Nitroaromatic compound - Dialkylarylamine - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Refractive Index: 1.67
• Boil Point(°C): 476.32° C
• Melt Point(°C): 78 °C
• Molecular Weight: 322.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 322.132 Da
• Monoisotopic Mass: 322.132 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Liwei Zhao, Ming Gong, Jian Yang, Jinlou Gu.  (2021)  Switchable Ionic Transportation in the Nanochannels of the MOFs Triggered by Light and pH.  LANGMUIR,      [PMID:34788532] [10.1021/acs.langmuir.1c02579]

2. Chen Zhiping, Xie Zhen, Lu Qin, Tian Lingli, Meng Yu, Xue Yichun, Zhu Hongxiang, Wang Lei, He Hui.  (2025)  Robust self-pumping medical microneedle arrays by nanofiber-reinforced non-covalent cooperative networks.  Advanced Composites and Hybrid Materials,  8  (5): (1-24).  [PMID:] [10.1007/s42114-025-01453-4]

3. Yiliyaer Baiheti, Peng Yang, Yifan Xie, Liyu Gan, Xu Liu, Li Wen, Zeyu Feng, Xini Chu, Hongli Zhang, Xin Chen, Gang Zou.  (2025)  Biomimetic Multicolored Polyfluorene Circularly Polarized Luminescence Micro-Patterns towards Multilevel Encryption.  CHINESE JOURNAL OF CHEMISTRY,  43  (24): (3388-3396).  [PMID:] [10.1002/cjoc.70329]