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CS-W001157 4
Total: USD 88.00

7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

  • CAS No. 313673-94-8

  • Cat. No. CS-W004236
  • Molecule weight181.66
  • Purity≥98%
  • MDL No.MFCD09026493

*For research and further manufacturing use only, not for direct human use.

7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine|CS-W004236

Structure of 313673-94-8

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General Information

  • CAS No. 313673-94-8
  • Cat. No. CS-W004236
  • Purity ≥98%
  • MDL No. MFCD09026493
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClN
  • Molecular Weight 181.66
  • Synonym(s) 7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE HYDROCHLORIDE
  • SMILES ClC1=CC=C2C(CCCCN2)=C1

Synthesis

  • Route1
    • null|null
      313673-93-7
    • ~99%
    • 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine|CS-W004236
      313673-94-8

    References

    • Kondo; Ogawa; Shinohara; Kurimura; Tanada; Kan; Yamashita; Nakamura; Hirano; Yamamura; Mori; Tominaga; Itai Journal of Medicinal Chemistry, 2000 , vol. 43, # 23 p. 4388 - 4397
  • Route2
    • 7-Chloro-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one|CS-0473457
      22344-77-0
    • ~89%
    • 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine|CS-W004236
      313673-94-8

    References

    • Ren, Hui; Zanger, Murray; McKee, James R. Synthetic Communications, 2006 , vol. 36, # 3 p. 355 - 363
  • Route3
    • 7-Chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one|CS-0149405
      193686-76-9
    • ~%
    • 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine|CS-W004236
      313673-94-8

    References

    • Kondo; Ogawa; Shinohara; Kurimura; Tanada; Kan; Yamashita; Nakamura; Hirano; Yamamura; Mori; Tominaga; Itai Journal of Medicinal Chemistry, 2000 , vol. 43, # 23 p. 4388 - 4397

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   3.0882
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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