Cas no 129822-46-4 (1-BOC-4-Chloroindole)

1-BOC-4-Chloroindole structure
1-BOC-4-Chloroindole structure
Product Name:1-BOC-4-Chloroindole
CAS No:129822-46-4
MF:C13H14ClNO2
MW:251.708762645721
MDL:MFCD09025758
CID:857848
PubChem ID:11402496
Update Time:2024-11-02

1-BOC-4-Chloroindole Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-chloro-1H-indole-1-carboxylate
    • 1-BOC-4-Chloroindole
    • N-(BOC)-4-CHLOROINDOLE
    • tert-butyl 4-chloroindole-1-carboxylate
    • tert-Butyl4-chloro-1H-indole-1-carboxylate
    • MFCD09025758
    • 1H-Indole-1-carboxylic acid, 4-chloro-, 1,1-dimethylethyl ester
    • 129822-46-4
    • DTXSID30464797
    • SNYOMIGRAXEOBR-UHFFFAOYSA-N
    • AKOS015836996
    • DB-062713
    • CS-0205353
    • F83004
    • 4-chloro-indole-1-carboxylic acid tert-butyl ester
    • SCHEMBL2878376
    • BS-20438
    • MDL: MFCD09025758
    • Inchi: 1S/C13H14ClNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
    • InChI Key: SNYOMIGRAXEOBR-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1C=CN2C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 251.07100
  • Monoisotopic Mass: 251.0713064g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 300
  • 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: 3.9
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 349.9°C at 760 mmHg
  • Flash Point: 165.4°C
  • Refractive Index: 1.557
  • PSA: 31.23000
  • LogP: 4.07790

1-BOC-4-Chloroindole Security Information

  • Storage Condition:Room temperature

1-BOC-4-Chloroindole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-BOC-4-Chloroindole Pricemore >>

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