Cas no 90390-46-8 ((3-Amino-5-nitrophenyl)methanol)

(3-Amino-5-nitrophenyl)methanol structure
90390-46-8 structure
Product Name:(3-Amino-5-nitrophenyl)methanol
CAS No:90390-46-8
MF:C7H8N2O3
MW:168.15002155304
MDL:MFCD08236778
CID:798309
PubChem ID:15540036
Update Time:2024-10-26

(3-Amino-5-nitrophenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • (3-Amino-5-nitrophenyl)methanol
    • 3-amino-5-nitroBenzenemethanol
    • Benzenemethanol,3-amino-5-nitro-
    • 3-(Hydroxymethyl)-5-nitroaniline
    • 3-AMINO-5-NITROBENZYL ALCOHOL
    • QOQKOVFSUNXURX-UHFFFAOYSA-N
    • FCH858876
    • AB43993
    • SY040459
    • AX8044972
    • ST2407959
    • W9312
    • 3-Amino-5-nitrobenzenemethanol (ACI)
    • CS-0157672
    • DB-058172
    • SCHEMBL922768
    • AKOS006285505
    • DS-0920
    • DTXSID70573857
    • O10072
    • EN300-7364334
    • 90390-46-8
    • MFCD08236778
    • MDL: MFCD08236778
    • Inchi: 1S/C7H8N2O3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4,8H2
    • InChI Key: QOQKOVFSUNXURX-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(CO)C=C(N)C=1)=O

Computed Properties

  • Exact Mass: 168.05300
  • Monoisotopic Mass: 168.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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
  • Topological Polar Surface Area: 92.1
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.433
  • Boiling Point: 425.876°C at 760 mmHg
  • Flash Point: 211.363°C
  • Refractive Index: 1.663
  • PSA: 92.07000
  • LogP: 1.77370

(3-Amino-5-nitrophenyl)methanol Customs Data

  • HS CODE:2922199090
  • Customs Data:

    China Customs Code:

    2922199090

    Overview:

    2922199090. Other amino alcohols and their ethers,Esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(3-Amino-5-nitrophenyl)methanol Pricemore >>

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(3-Amino-5-nitrophenyl)methanol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium sulfide Solvents: Methanol ;  reflux
Reference
Enzymatic resolution of substituted mandelic acids
Campbell, Robert F.; et al, Tetrahedron Letters, 2003, 44(29), 5477-5481

Production Method 2

Reaction Conditions
1.1 Reagents: Ammonium sulfide Solvents: Methanol ,  Water ;  6 h, reflux; 20 h, rt
Reference
Synthesis of non-symmetrical 3,5-diamidobenzyl amines, ethers and sulfides
Barker, David; et al, Tetrahedron Letters, 2008, 49(10), 1660-1664

Production Method 3

Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron
2.1 Reagents: Ammonium sulfide
Reference
Synthesis of polynorbornene with pendant moiety bearing azide and terminal alkyne groups
Zhang, Ze; et al, Chinese Chemical Letters, 2011, 22(7), 785-788

Production Method 4

Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ;  18 h, 0 °C → rt
2.1 Reagents: Ammonium sulfide Solvents: Methanol ,  Water ;  6 h, reflux; 20 h, rt
Reference
Synthesis of non-symmetrical 3,5-diamidobenzyl amines, ethers and sulfides
Barker, David; et al, Tetrahedron Letters, 2008, 49(10), 1660-1664

(3-Amino-5-nitrophenyl)methanol Raw materials

(3-Amino-5-nitrophenyl)methanol Preparation Products

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