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HomeProduct name listMethyl 3-nitrobenzoate

Methyl 3-nitrobenzoate

  • CAS NO.:618-95-1
  • Empirical Formula: C8H7NO4
  • Molecular Weight: 181.15
  • MDL number: MFCD00007250
  • EINECS: 210-573-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-21 22:41:43
Methyl 3-nitrobenzoate Structural

What is Methyl 3-nitrobenzoate?

Chemical properties

beige crystalline powder

The Uses of Methyl 3-nitrobenzoate

Methyl 3-nitrobenzoate was used in the preparation of iodoarene.

Synthesis Reference(s)

Synthetic Communications, 22, p. 1851, 1992 DOI: 10.1080/00397919208021316
Chemical and Pharmaceutical Bulletin, 36, p. 481, 1988 DOI: 10.1248/cpb.36.481

Purification Methods

Crystallise the benzoate from MeOH (1g/mL). [Beilstein 9 H 378, 9 I 153, 9 II 248, 9 III 1493, 9 IV 1056.]

Properties of Methyl 3-nitrobenzoate

Melting point: 78-80 °C (lit.)
Boiling point: 279 °C (lit.)
Density  1.4283 (rough estimate)
refractive index  1.5468 (estimate)
Flash point: 279°C
storage temp.  Sealed in dry,Room Temperature
form  Crystalline Powder
color  Beige
Water Solubility  insoluble
BRN  392449
Stability: Stable. Incompatible with strong oxidizing agents.
CAS DataBase Reference 618-95-1(CAS DataBase Reference)
NIST Chemistry Reference 3-O2N-C6H4-COOCH3(618-95-1)
EPA Substance Registry System Benzoic acid, 3-nitro-, methyl ester (618-95-1)

Safety information for Methyl 3-nitrobenzoate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Methyl 3-nitrobenzoate

InChIKey AXLYJLKKPUICKV-UHFFFAOYSA-N

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