3,5-Dimethoxyaniline - ≥98% , CAS No.10272-07-8

CAS: 10272-07-8 Cat. No.: D103619 Molecular Weight: 153.18 Beilstein Registry Number: 638013 EC Number: 233-616-5

GRADE & PURITY ≥98%

Synonyms

3,5-Dimethoxyaniline | 3,5-dimethoxy-aniline | SY001674 | 5-Aminoresorcinol dimethylether | 3,5-dimethoxy analine | CHEBI:172328 | 3,5-Dimethoxyaniline, 98% | EINECS 233-616-5 | JS9DUH84WG | EN300-20191 | W-108865 | STL168344 | 3,5-Dimethoxybenzeneamine |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3, 5-Dimethoxyaniline | 3, 5-dimethoxy-aniline | SY001674 | 5-Aminoresorcinol dimethylether | 3, 5-dimethoxy analine | CHEBI:172328 | 3, 5-Dimethoxyaniline, 98% | EINECS 233-616-5 | JS9DUH84WG | EN300-20191 | W-108865 | STL168344 | 3, 5-Dimethoxybenzeneamine |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183771
• Canonical Smiles: COC1=CC(=CC(=C1)N)OC
• IUPAC Name: 3,5-dimethoxyaniline
• InChIKey: WNRGWPVJGDABME-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3
• Isomeric SMILES: COC1=CC(=CC(=C1)N)OC
• WGK Germany: 3
• Molecular Weight: 153.18
• Beilstein: 638013
• Reaxy-Rn: 638013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638013&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: air & heat & light sensitive
• Flash Point(°F): 275 °F
• Flash Point(°C): 135°C
• Boil Point(°C): 178°C/20mmHg
• Melt Point(°C): 57°C
• Molecular Weight: 153.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• 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

References

1. Kai Wu, Xiaoyang Wu, Yusheng Zhang, Suping Chen, Zi Qiao, Dan Wei, Jing Sun, Hongsong Fan.  (2022)  Semiconvertible Hyaluronic Hydrogel Enabled Red-Light-Responsive Reversible Mechanics, Adhesion, and Self-Healing.  BIOMACROMOLECULES,      [PMID:35029368] [10.1021/acs.biomac.1c01395]

2. Xiangyu Yang, Shijie Li, Jin Zhang, Xiaomin Wang, Yongzhen Wang, Jianguo Zhao.  (2021)  A Low-Temperature Heat Output Photoactive Material-Based High-Performance Thermal Energy Storage Closed System.  Materials,  14  (6): (1434).  [PMID:33809446] [10.3390/ma14061434]

3. Lantao Liu, Nan Li, Meijun Chen, Hailin Yang, Qian Tang, Chengbin Gong.  (2018)  Visible-Light-Responsive Surface Molecularly Imprinted Polymer for Acyclovir through Chicken Skin Tissue.  ACS Applied Bio Materials,      [PMID:34996176] [10.1021/acsabm.8b00275]

4. Wei Wei, Haibo Zhang, Shaowei Guan, Zhenhua Jiang, Xigui Yue.  (2012)  Preparation and characterization of transparent polyarylethers-silica hybrid membranes with covalently connected phases.  POLYMER,      [PMID:] [10.1016/j.polymer.2012.08.059]