Cas no 33704-19-7 (3-(tert-Butoxycarbonyl)benzoic Acid)

3-(tert-Butoxycarbonyl)benzoic Acid structure
33704-19-7 structure
Product Name:3-(tert-Butoxycarbonyl)benzoic Acid
CAS No:33704-19-7
MF:C12H14O4
MW:222.237164020538
MDL:MFCD04037899
CID:294425
PubChem ID:2760951
Update Time:2025-04-19

3-(tert-Butoxycarbonyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylicacid, 1-(1,1-dimethylethyl) ester
    • 3-(TERT-BUTOXYCARBONYL)BENZOIC ACID
    • 3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
    • 3-{[(1,1-dimethylethyl)oxy]carbonyl}benzoic acid
    • isophthalic acid mono-tert-butyl ester
    • Isophthalsaeuremono-t-butylester
    • mono-(tert-Butyl) isophthalate
    • ZLD0446
    • CS-0147128
    • tert-Butyl 3-carboxybenzoate
    • EN300-124636
    • D94963
    • AKOS015838010
    • SCHEMBL40750
    • Z1562158950
    • 3-[(tert-butoxy)carbonyl]benzoic acid
    • FT-0676942
    • 3-(tert-Butoxycarbonyl)benzoicacid
    • SY147704
    • MFCD04037899
    • OFILKMBFUQQLSU-UHFFFAOYSA-N
    • 33704-19-7
    • A875212
    • PS-5976
    • DTXSID10375433
    • DB-008248
    • 3-(tert-Butoxycarbonyl)benzoic Acid
    • MDL: MFCD04037899
    • Inchi: 1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14/h4-7H,1-3H3,(H,13,14)
    • InChI Key: OFILKMBFUQQLSU-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C(=O)O)C=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 222.08900
  • Monoisotopic Mass: 222.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 277
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 152-153°C
  • Boiling Point: 357.6±25.0 °C at 760 mmHg
  • Flash Point: 135.5±16.7 °C
  • Refractive Index: 1.533
  • PSA: 63.60000
  • LogP: 2.34010
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-(tert-Butoxycarbonyl)benzoic Acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-(tert-Butoxycarbonyl)benzoic Acid Pricemore >>

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