Cas no 80866-88-2 ((3-methoxy-4-nitrophenyl)methanol)

(3-methoxy-4-nitrophenyl)methanol structure
80866-88-2 structure
Product Name:(3-methoxy-4-nitrophenyl)methanol
CAS No:80866-88-2
MF:C8H9NO4
MW:183.161362409592
MDL:MFCD00007098
CID:730328
PubChem ID:602961
Update Time:2024-10-27

(3-methoxy-4-nitrophenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • (3-Methoxy-4-nitrophenyl)methanol
    • 3-Methoxy-4-nitrobenzyl alcohol
    • Benzenemethanol,3-methoxy-4-nitro-
    • Benzenemethanol, 3-methoxy-4-nitro-
    • AADYWCBPJZAJNU-UHFFFAOYSA-N
    • 3-Methoxy-4-nitrobenzylalcohol
    • Benzyl alcohol, 3-methoxy-4-nitro-
    • 4-nitro-3-methoxybenzyl alcohol
    • AADYWCBPJZAJNU-UHFFFAOYSA-
    • (3-methoxy-4-nitro-phenyl)methanol
    • (3-Methoxy-4-nitrophenyl)methanol #
    • (3-methoxy-4-nit
    • 3-Methoxy-4-nitrobenzenemethanol (ACI)
    • Benzyl alcohol, 3-methoxy-4-nitro- (6CI)
    • (3-methoxy-4-nitrophenyl)methanol
    • MDL： MFCD00007098
    • Inchi： 1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
    • InChI Key： AADYWCBPJZAJNU-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C(OC)=CC(CO)=CC=1)=O

Computed Properties

  • Exact Mass: 183.05300
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.8
  • Topological Polar Surface Area: 75.3

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 95-97?°C (lit.)
  • PSA: 75.28000
  • LogP: 1.61890
  • Solubility: Not determined

(3-methoxy-4-nitrophenyl)methanol Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-37/39
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

(3-methoxy-4-nitrophenyl)methanol Customs Data

  • HS CODE：2909499000
  • Customs Data：

    China Customs Code:

    2909499000

    Overview:

    2909499000 Other ether alcohols and their halogenation\sulfonation\Nitrosative or nitrosative derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

(3-methoxy-4-nitrophenyl)methanol Pricemore >>

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(3-methoxy-4-nitrophenyl)methanol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ;  rt; 3 h, 60 °C
Reference
Affinity-Driven Covalent Modulator of the Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH) Cascade
Chern, Jeffy ; et al, Angewandte Chemie, 2018, 57(24), 7040-7045

(3-methoxy-4-nitrophenyl)methanol Raw materials

(3-methoxy-4-nitrophenyl)methanol Preparation Products

(3-methoxy-4-nitrophenyl)methanol Related Literature

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