Cas no 147290-67-3 (Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester)

Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester structure
147290-67-3 structure
Product Name:Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester
CAS No:147290-67-3
MF:C12H15NO4
MW:237.251803636551
CID:100817
PubChem ID:15283350
Update Time:2025-04-18

Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester
    • tert-butyl 3-methyl-4-nitrobenzoate
    • SCHEMBL1027488
    • FT-0763177
    • Benzoic acid, 3-methyl-4-nitro-, 1,1-dimethylethyl ester
    • XFA29067
    • 147290-67-3
    • t-butyl 3-methyl-4-nitro-benzoate
    • t-butyl 3-methyl-4-nitrobenzoate
    • DTXSID20570977
    • BS-21429
    • 3-methyl-4-nitrobenzoic acid tert-butyl ester
    • SWAVZCKLGYSSQN-UHFFFAOYSA-N
    • AKOS008988139
    • MDL： MFCD08703418
    • Inchi： 1S/C12H15NO4/c1-8-7-9(5-6-10(8)13(15)16)11(14)17-12(2,3)4/h5-7H,1-4H3
    • InChI Key： SWAVZCKLGYSSQN-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(=C(C)C=1)[N+](=O)[O-])=O)C(C)(C)C

Computed Properties

  • Exact Mass: 237.10015
  • Monoisotopic Mass: 237.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 303
  • 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: 72.1?2

Experimental Properties

  • Density: 1.157
  • Boiling Point: 345.31°C at 760 mmHg
  • Flash Point: 142.751°C
  • Refractive Index: 1.529
  • PSA: 69.44

Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
1PlusChem
1P001F8C-5g
Benzoic acid, 3-methyl-4-nitro-, 1,1-dimethylethyl ester
 147290-67-3 98%
5g
 $372.00 2025-02-19
1PlusChem
1P001F8C-1g
Benzoic acid, 3-methyl-4-nitro-, 1,1-dimethylethyl ester
 147290-67-3 98%
1g
 $117.00 2025-02-19
A2B Chem LLC
AA65596-1g
tert-Butyl 3-methyl-4-nitrobenzoate
 147290-67-3 98%
1g
 $108.00 2024-04-20
A2B Chem LLC
AA65596-5g
tert-Butyl 3-methyl-4-nitrobenzoate
 147290-67-3 98%
5g
 $358.00 2024-04-20

Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester Related Literature

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