Cas no 158580-57-5 (Methyl 4-bromo-2-nitrobenzoate)

Methyl 4-bromo-2-nitrobenzoate is a brominated and nitrated aromatic ester with the molecular formula C?H?BrNO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its key functional groups—the bromo and nitro substituents—enable selective transformations, such as nucleophilic substitutions or reductions, facilitating the synthesis of complex molecules. The ester moiety enhances solubility in organic solvents, simplifying purification and handling. With a well-defined structure and high purity, Methyl 4-bromo-2-nitrobenzoate is a reliable building block for researchers in medicinal chemistry and materials science. Its stability under standard conditions ensures consistent performance in synthetic applications.
Methyl 4-bromo-2-nitrobenzoate structure
158580-57-5 structure
Product Name:Methyl 4-bromo-2-nitrobenzoate
CAS No:158580-57-5
MF:C8H6BrNO4
MW:260.041541576386
MDL:MFCD10699645
CID:857555
Update Time:2025-10-18

Methyl 4-bromo-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-2-nitrobenzoate
    • Benzoic acid, 4-bromo-2-nitro-, methyl ester
    • YTWDMAAPIWOIFZ-UHFFFAOYSA-N
    • SB12305
    • TRA0095146
    • SY010725
    • 4-Bromo-2-nitro-benzoic acid methyl ester
    • ST2419574
    • V3566
    • MDL： MFCD10699645
    • Inchi： 1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
    • InChI Key： YTWDMAAPIWOIFZ-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(C(=O)OC)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 258.94800
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 240
  • XLogP3: 2.4
  • Topological Polar Surface Area: 72.1

Experimental Properties

  • Density: 1.673±0.06 g/cm3 (20 oC 760 Torr),
  • Flash Point: 151.9℃
  • Solubility: Very slightly soluble (0.23 g/l) (25 o C),
  • PSA: 72.12000
  • LogP: 2.66710

Methyl 4-bromo-2-nitrobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
M844447-1g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5 98%
1g
 136.80 2021-05-17
TRC
M296163-100mg
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
100mg
 $64.00 2023-05-18
TRC
M296163-250mg
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
250mg
 $75.00 2023-05-18
TRC
M296163-500mg
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
500mg
 $87.00 2023-05-18
TRC
M296163-1g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
1g
 $98.00 2023-05-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M51350-1g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
1g
 ￥126.0 2021-09-04
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M51350-5g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
5g
 ￥166.0 2021-09-04
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M51350-25g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
25g
 ￥686.0 2021-09-04
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M51350-100g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5
100g
 ￥3266.0 2021-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M174572-25g
Methyl 4-bromo-2-nitrobenzoate
 158580-57-5 98%
25g
 ￥509.90 2023-09-01

Methyl 4-bromo-2-nitrobenzoate Production Method

Methyl 4-bromo-2-nitrobenzoate Related Literature

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