Cas no 116754-87-1 (Benzenepentadecanoicacid, 4-iodo-b-methyl-)

Benzenepentadecanoicacid, 4-iodo-b-methyl- structure
116754-87-1 structure
Product Name:Benzenepentadecanoicacid, 4-iodo-b-methyl-
CAS No:116754-87-1
MF:C22H35IO2
MW:458.41657948494
CID:189299
PubChem ID:119352
Update Time:2025-04-19

Benzenepentadecanoicacid, 4-iodo-b-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenepentadecanoicacid, 4-iodo-b-methyl-
    • 15-(4-iodophenyl)-3-methylpentadecanoic acid
    • 15-p-Iodophenyl-beta-methylpentadecanoic acid
    • 3-Methyl-4-iodophenylpentadecanoic acid
    • 4-Iodo-beta-methylbenzenepentadecanoic acid
    • Benzenepentadecanoic acid, 4-iodo-beta-methyl-
    • beta-Methyl-15-(4-iodophenyl)pentadecanoic acid
    • BMIPP
    • BMPDA
    • 3-Methyl-15-(4-iodophenyl)pentadecanoic acid
    • 15-(p-iodophenyl)-3-(r,s)-methylpentadecanoic acid
    • Iodofiltic Acid
    • 15-(p-Iodophenyl)-3-methylpentadecanoic acid
    • S36MQ9FKF0
    • SCHEMBL289760
    • UNII-S36MQ9FKF0
    • 116754-87-1
    • [123I]- -Methyl iodophenyl-pentadecanoic acid
    • BENZENEPENTADECANOIC ACID, 4-IODO-.BETA.-METHYL-
    • [123I]BMIPP
    • 15-P-IODOPHENYL-.BETA.-METHYLPENTADECANOIC ACID BMIP
    • DTXSID50922147
    • CHEMBL336360
    • Inchi: 1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)
    • InChI Key: NPCIWINHUDIWAV-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)CCCCCCCCCCCCC(C)CC(=O)O

Computed Properties

  • Exact Mass: 458.16785
  • Monoisotopic Mass: 458.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 15
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.237
  • Boiling Point: 506.1°Cat760mmHg
  • Flash Point: 259.9°C
  • Refractive Index: 1.533
  • PSA: 37.3
Recommended suppliers
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd