Cas no 161282-57-1 (Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate)

Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate structure
161282-57-1 structure
Product Name:Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate
CAS No:161282-57-1
MF:C10H13NO3
MW:195.215122938156
MDL:MFCD03086220
CID:65591
PubChem ID:5057005
Update Time:2025-04-18

Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate
    • 2-Formylpyrrole-1-carboxylic acid tert-butyl ester
    • N-(1,1-Dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde
    • 1-Boc-pyrrole-2-carboxaldehyde
    • N-Boc-pyrrole-2-carboxaldehyde
    • tert-butyl 2-formylpyrrole-1-carboxylate
    • 1-(tert-butoxycarbonyl)-1H-pyrrole-2-carbaldehyde
    • 1-tert-butoxycarbonylpyrrole-2-carboxaldehyde
    • N-Boc-pyrrole-2-carbaldehyde
    • N-tert-Butyloxycarbonylpyrrole-2-carboxaldehyde
    • 3-tert-butyl-2-forMyl-1H-pyrrole-1-carboxylate
    • 1H-Pyrrole-1-carboxylic acid, 2-forMyl-, 1,1-diMethylethyl ester
    • 1-Boc-pyrrole-2-carboxaldehyde, 98%
    • 2-Formyl-pyrrole-1-carboxylic acid tert-butyl ester
    • NSHLHMBABZKJHP-UHFFFAOYSA-N
    • SB12045
    • AM1003
    • t-butyl 2-formyl-1h-pyrrole-1-carboxylate
    • 1-Boc-1H-pyrrole-2-carbaldehyde
    • AS-50443
    • N-Boc-pyrrole-2-carboxaldehyde, 97%
    • SY162929
    • P10245
    • J-009807
    • 161282-57-1
    • Tert-butyl2-formyl-1H-pyrrole-1-carboxylate
    • FT-0645874
    • AKOS005215825
    • Z1255450693
    • EN300-181987
    • SCHEMBL1960653
    • CS-0054074
    • N-(dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde
    • 1-(t-butoxycarbonyl)pyrrole-2-carbaldehyde
    • MFCD03086220
    • DTXSID30407861
    • AM100323
    • DB-000582
    • Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate
    • MDL: MFCD03086220
    • Inchi: 1S/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
    • InChI Key: NSHLHMBABZKJHP-UHFFFAOYSA-N
    • SMILES: O(C(N1C=CC=C1C=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 195.09000
  • Monoisotopic Mass: 195.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 232
  • 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: 1.7
  • Topological Polar Surface Area: 48.3

Experimental Properties

  • Density: 1.08
  • Melting Point: 49-53?°C
  • Boiling Point: 292 oC
  • Flash Point: Fahrenheit: 224.6 ° f
    Celsius: 107 ° c
  • Refractive Index: 1.502
  • PSA: 48.30000
  • LogP: 2.08380
  • Sensitiveness: Air Sensitive

Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Storage Condition:Inert atmosphere,2-8°C

Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate Pricemore >>

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