Cas no 42454-06-8 (5-Hydroxy-2-nitrobenzaldehyde)

5-Hydroxy-2-nitrobenzaldehyde is a nitro-substituted benzaldehyde derivative with the molecular formula C?H?NO?. This compound features both hydroxyl and nitro functional groups ortho to the formyl group, making it a versatile intermediate in organic synthesis. Its reactive aldehyde group allows for further functionalization, while the electron-withdrawing nitro group and electron-donating hydroxyl group contribute to its unique reactivity profile. This compound is particularly useful in the synthesis of heterocyclic compounds, dyes, and pharmaceutical intermediates. Its well-defined structure and consistent purity make it suitable for research and industrial applications requiring precise chemical transformations. Proper handling is advised due to potential sensitivity to light and moisture.
5-Hydroxy-2-nitrobenzaldehyde structure
5-Hydroxy-2-nitrobenzaldehyde structure
Product Name:5-Hydroxy-2-nitrobenzaldehyde
CAS No:42454-06-8
MF:C7H5NO4
MW:167.118901968002
MDL:MFCD00007332
CID:55568
PubChem ID:24895656
Update Time:2025-06-06

5-Hydroxy-2-nitrobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Hydroxy-2-nitrobenzaldehyde
    • 2-NITRO-5-HYDROXYBENZALDEHYDE
    • 2-formyl-4-hydroxy-1-nitrobenzene
    • 3-Formyl-4-nitrophenol
    • 3-hydroxy 6-nitro benzaldehyde
    • 5-Hydroxy-2-nitro-benzaldehyd
    • 5-hydroxy-2-nitro-benzaldehyde
    • 6-Nitro-3-hydroxybenzaldehyde
    • BENZALDEHYDE,5-HYDROXY-2-NITRO
    • EINECS 255-832-9
    • NSC 93899
    • BENZALDEHYDE, 5-HYDROXY-2-NITRO-
    • VA926Z93IF
    • XLYPHUGUKGMURE-UHFFFAOYSA-N
    • NSC93899
    • PubChem8205
    • KSC235S6R
    • 3-hydroxy-6-nitrobenzaldehyde
    • 6-nitro-3-hydroxy benzaldhyde
    • Z1255390569
    • 4-08-00-00250 (Beilstein Handbook Reference)
    • H1039
    • A6929
    • doi:10.14272/XLYPHUGUKGMURE-UHFFFAOYSA-N.1
    • CS-W001068
    • AKOS000103913
    • 5-hydroxy-2-nitro benzaldehyde
    • SCHEMBL1014901
    • UNII-VA926Z93IF
    • DTXSID8022290
    • 42454-06-8
    • FT-0620468
    • Q27291725
    • InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10
    • AC-5095
    • AM20050242
    • NSC-93899
    • 10.14272/XLYPHUGUKGMURE-UHFFFAOYSA-N.1
    • SY020977
    • EN300-91728
    • 5-Hydroxy-2-nitrobenzaldehyde, 98%
    • NS00031185
    • J-517601
    • PS-3960
    • BRN 1910196
    • MFCD00007332
    • 5-Hydroxy-2-nitrobenzaldehyde, purum, >=98.0% (HPLC)
    • BBL104268
    • DB-012656
    • STL558475
    • 2-Nitro-5-hydroxybenzaldehyde; 3-Formyl-4-nitrophenol; 3-Hydroxy-6-nitrobenzaldehyde
    • DTXCID302290
    • FH70672
    • 255-832-9
    • MDL: MFCD00007332
    • Inchi: 1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
    • InChI Key: XLYPHUGUKGMURE-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=C(C=O)C=1)[N+](=O)[O-]
    • BRN: 1910196

Computed Properties

  • Exact Mass: 167.02200
  • Monoisotopic Mass: 167.021858
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 3
  • XLogP3: 0.9
  • Topological Polar Surface Area: 83.1

Experimental Properties

  • Color/Form: Yellow to Brown Solid
  • Density: 1.5
  • Melting Point: 168.0 to 172.0 deg-C
  • Boiling Point: 373°C at 760 mmHg
  • Flash Point: 173.2 °C
  • Refractive Index: 1.666
  • Solubility: Soluble in methanol.
  • PSA: 83.12000
  • LogP: 1.63610
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined

5-Hydroxy-2-nitrobenzaldehyde Security Information

  • Symbol: GHS07
  • Prompt:warning
  • 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: S26-S36
  • RTECS:CU6700000
  • Hazardous Material Identification: Xi
  • Storage Condition:Inert atmosphere,2-8°C
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S36

5-Hydroxy-2-nitrobenzaldehyde Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to 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:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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5-Hydroxy-2-nitrobenzaldehyde Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:42454-06-8)5-Hydroxy-2-nitrobenzaldehyde
Order Number:LE18132
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:17
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:42454-06-8)5-Hydroxy-2-nitrobenzaldehyde
LE18132
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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