o-Anisidine - ≥98%(GC) , CAS No.90-04-0

CAS: 90-04-0 Cat. No.: A103995 Summenformel: C₇H₉NO Molekulargewicht: 123.16 Beilstein Registry Number: 386210 EG-Nummer: 201-963-1

GRADE & PURITY ≥98%(GC)

Synonyms

2-Methoxyaniline | 2-METHOXY-ANILINE | 2-methoxyphenylamine | 2-Methoxy-phenylamine | o-Methoxyaniline | ORTHO-ANISIDINE [IARC] | (2-methoxyphenyl)amine | (2-methoxyphenyl)-amine | 2-methoxy aniline | HSDB 2073 | NCGC00259011-01 | o-anisidin | MLS00105011

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

2-Methoxyaniline | 2-METHOXY-ANILINE | 2-methoxyphenylamine | 2-Methoxy-phenylamine | o-Methoxyaniline | ORTHO-ANISIDINE [IARC] | (2-methoxyphenyl)amine | (2-methoxyphenyl)-amine | 2-methoxy aniline | HSDB 2073 | NCGC00259011-01 | o-anisidin | MLS00105011

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 508816673
• Kanonisches Lächeln: COC1=CC=CC=C1N
• IUPAC Name: 2-methoxyaniline
• InChIKey: VMPITZXILSNTON-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
• Isomere SMILES: COC1=CC=CC=C1N
• WGK Deutschland: 3
• RTECS: BZ5410000
• UN-Nummer: 2431
• Verpackungsgruppe: III
• Molekulargewicht: 123.16
• Beilstein: 386210
• Reaxy-Rn: 386210
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386210&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• External Descriptors: methoxybenzene

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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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

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CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Ltc4s Leukotriene C4 synthase (1 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: 13 g/L (20°C) Solubility in other solvents: Soluble in dilute mineral acid Miscible with alcohol and ether Soluble in acetone and benzene
• Empfindlichkeit: Heat, Light, Air sensitive.
• Gefrierpunkt (°C): 6 °C
• Brechungsindex: 1.574
• Flammpunkt (°C): 100 °C
• Siedepunkt (°C): 225°C
• Schmelzpunkt (°C): 5°C
• Molekulargewicht: 123.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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

Referenzen

1. Yifan Bing, Zhiwei Sun, Shuang Wu, Yan Zheng, Yingbo Xi, Wenlan Li, Xiang Zou, Zhongyuan Qu.  (2023)  Discovery and verification of Q-markers for promoting blood circulation and removing stasis of raw and wine-steamed Vaccaria segetalis based on pharmacological evaluation combined with chemometrics.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:37666377] [10.1016/j.jep.2023.117120]

2. Mohammed Jalalah, Zubair Nabi, Muhammad Naveed Anjum, Mirza Nadeem Ahmad, Atta Ul Haq, Muhammad Bilal Qadir, Mohd Faisal, Mabkhoot Alsaiari, Muhammad Irfan, Farid A. Harraz.  (2023)  Facile Synthesis of Poly(o-anisidine)/Graphitic Carbon Nitride/Zinc Oxide Composite for Photo-Catalytic Degradation of Congo Red Dye.  Catalysts,  13  (2): (239).  [PMID:] [10.3390/catal13020239]

3. Chen Song, Zhen Zhao, Youhui Lin, Yang Zhao, Xiang-yang Liu, Changxu Lin, Chenxu Wu.  (2019)  A nanoneedle-based reactional wettability variation sensor array for on-site detection of metal ions with a smartphone.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:30974249] [10.1016/j.jcis.2019.04.015]

4. Zhang Yinchenxi, Duan Yixiang.  (2019)  A double-functionalized polymeric ionic liquid used as solid-phase microextraction coating for efficient aromatic amine extraction and detection with gas chromatography–mass spectrometry.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (10): (2209-2221).  [PMID:30879115] [10.1007/s00216-019-01664-x]

5. Huan Wang, Yong Zhang, Yulan Wang, Hongmin Ma, Bin Du, Qin Wei.  (2016)  Facile synthesis of cuprous oxide nanowires decorated graphene oxide nanosheets nanocomposites and its application in label-free electrochemical immunosensor.  BIOSENSORS & BIOELECTRONICS,      [PMID:27649330] [10.1016/j.bios.2016.09.014]

6. Yulan Wang, Dawei Fan, Dan Wu, Yong Zhang, Hongmin Ma, Bin Du, Qin Wei.  (2016)  Simple synthesis of silver nanoparticles functionalized cuprous oxide nanowires nanocomposites and its application in electrochemical immunosensor.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2016.06.021]

7. Ali S. Alkorbi, Nouman Gill, Muhammad Naveed Anjum, Muhammad Jawwad Saif, Mirza Nadeem Ahmad, Muhammad Bilal Qadir, Zubair Khaliq, Mohd Faisal, Mohammed Jalalah, Farid A. Harraz.  (2024)  Green ternary composite of graphitic carbon nitride/TiO2/ polyorthoanisidine for the enhanced photocatalytic treatment of Direct Red 28 for industrial water treatment solutions.  Frontiers in Chemistry,      [PMID:39398193] [10.3389/fchem.2024.1411980]

8. Kai Zhu, Zihan Lin, Xinyi Bai, Fangfang Chang, Qing Zhang, Xiaolei Wang, Zhengyu Bai.  (2025)  Enhanced Electrocatalytic Conversion of CO2 to C2+ Products via Intermediate Stabilized Cu+/Cu0 Interface Catalysts.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c03662]

9. Jirong Long, Yuxuan Mao, Yiwei Long, Guozhang Chang, Lungang Chen, Wenguang Zhou, Jinxing Long, Yong Liu.  (2025)  Ru nanoparticles on HZSM-5 with strong metal–support interactions for efficient hydrodeoxygenation of lignin-derived phenols under mild conditions.  BIORESOURCE TECHNOLOGY,      [PMID:40975363] [10.1016/j.biortech.2025.133357]