Cas no 883554-93-6 (Methyl 5-bromo-2-nitrobenzoate)

Methyl 5-bromo-2-nitrobenzoate structure
883554-93-6 structure
Product Name:Methyl 5-bromo-2-nitrobenzoate
CAS No:883554-93-6
MF:C8H6BrNO4
MW:260.041541576386
MDL:MFCD00092886
CID:710426
PubChem ID:17750359
Update Time:2024-10-26

Methyl 5-bromo-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromo-2-nitrobenzoate
    • 5-bromo-2-nitrobenzoic acid methyl ester
    • 5-BROMO-2-NITRO-BENZOIC ACID METHYL ESTER
    • Benzoic acid,5-bromo-2-nitro-, methyl ester
    • Methyl 5-bromo-2-nitrobenzoate (ACI)
    • AKOS015852132
    • DB-011609
    • SCHEMBL1667720
    • DTXSID90590460
    • MFCD00092886
    • CL8577
    • J-522454
    • CS-0150869
    • DB-006978
    • SB73981
    • DS-12971
    • 883554-93-6
    • SY064186
    • MDL: MFCD00092886
    • Inchi: 1S/C8H6BrNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
    • InChI Key: IXVNSGSUEVSJIF-UHFFFAOYSA-N
    • SMILES: O=C(C1C([N+](=O)[O-])=CC=C(Br)C=1)OC

Computed Properties

  • Exact Mass: 258.94800
  • Monoisotopic Mass: 258.948
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 240
  • 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: nothing
  • Topological Polar Surface Area: 72.1A^2

Experimental Properties

  • Density: 1.673
  • Melting Point: 70-71°C
  • Boiling Point: 314°C at 760 mmHg
  • Flash Point: 143.7°C
  • Refractive Index: 1.587
  • PSA: 72.12000
  • LogP: 2.66710

Methyl 5-bromo-2-nitrobenzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Methyl 5-bromo-2-nitrobenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  0 °C → 40 °C; 1 h, 40 °C; 40 °C → rt
Reference
Chemoselective Probe Containing a Unique Bioorthogonal Cleavage Site for Investigation of Gut Microbiota Metabolism
Garg, Neeraj; et al, Angewandte Chemie, 2018, 57(42), 13805-13809

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  0 °C; 1 h, 40 °C
Reference
Conformational Change of Self-Assembled DNA Nanotubes Induced by Two-Photon Excitation
Dai, Ziwen; et al, Small, 2015, 11(33), 4090-4096

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid ;  0 °C; 6 h, 0 °C
2.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  0 °C; 1 h, 40 °C
Reference
Conformational Change of Self-Assembled DNA Nanotubes Induced by Two-Photon Excitation
Dai, Ziwen; et al, Small, 2015, 11(33), 4090-4096

Production Method 4

Reaction Conditions
1.1 Reagents: Pyridine ,  Thionyl chloride ;  0 °C
1.2 0 °C; 4 h, 0 °C
Reference
Tunable emissive thin films through ICT photodisruption of nitro-substituted triarylamines
Jacquart, Aurelie; et al, Chemical Communications (Cambridge, 2010, 46(24), 4360-4362

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid ;  0 °C; 6 h, 0 °C
2.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  0 °C → 40 °C; 1 h, 40 °C; 40 °C → rt
Reference
Chemoselective Probe Containing a Unique Bioorthogonal Cleavage Site for Investigation of Gut Microbiota Metabolism
Garg, Neeraj; et al, Angewandte Chemie, 2018, 57(42), 13805-13809

Production Method 6

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Water ;  0 °C; 6 h, 0 °C
2.1 Reagents: Pyridine ,  Thionyl chloride ;  0 °C
2.2 0 °C; 4 h, 0 °C
Reference
Tunable emissive thin films through ICT photodisruption of nitro-substituted triarylamines
Jacquart, Aurelie; et al, Chemical Communications (Cambridge, 2010, 46(24), 4360-4362

Methyl 5-bromo-2-nitrobenzoate Raw materials

Methyl 5-bromo-2-nitrobenzoate Preparation Products

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