Cas no 27181-22-2 (Benzene, 1-(difluoromethyl)-3-isocyanato-)

Benzene, 1-(difluoromethyl)-3-isocyanato- structure
27181-22-2 structure
Product Name:Benzene, 1-(difluoromethyl)-3-isocyanato-
CAS No:27181-22-2
MF:C8H5F2NO
MW:169.128208875656
CID:1431705
PubChem ID:83854594
Update Time:2025-04-20

Benzene, 1-(difluoromethyl)-3-isocyanato- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(difluoromethyl)-3-isocyanato-
    • 27181-22-2
    • SCHEMBL707227
    • CBA18122
    • YPDMVXLKBSSSMV-UHFFFAOYSA-N
    • EN300-365863
    • 1-(difluoromethyl)-3-isocyanatobenzene
    • Inchi： 1S/C8H5F2NO/c9-8(10)6-2-1-3-7(4-6)11-5-12/h1-4,8H
    • InChI Key： YPDMVXLKBSSSMV-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC=C(C=1)N=C=O)F

Computed Properties

  • Exact Mass: 169.03395
  • Monoisotopic Mass: 169.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 190
  • 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
  • Topological Polar Surface Area: 29.4A^2
  • XLogP3: 3.3

Experimental Properties

  • PSA: 29.43

Benzene, 1-(difluoromethyl)-3-isocyanato- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-365863-0.05g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
0.05g
 $273.0 2025-03-18
Enamine
EN300-365863-0.1g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
0.1g
 $407.0 2025-03-18
Enamine
EN300-365863-0.25g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
0.25g
 $579.0 2025-03-18
Enamine
EN300-365863-0.5g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
0.5g
 $914.0 2025-03-18
Enamine
EN300-365863-1.0g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
1.0g
 $1172.0 2025-03-18
Enamine
EN300-365863-2.5g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
2.5g
 $2295.0 2025-03-18
Enamine
EN300-365863-5.0g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
5.0g
 $3396.0 2025-03-18
Enamine
EN300-365863-10.0g
1-(difluoromethyl)-3-isocyanatobenzene
 27181-22-2 95.0%
10.0g
 $5037.0 2025-03-18
A2B Chem LLC
AW30926-2.5g
1-(Difluoromethyl)-3-isocyanatobenzene
 27181-22-2 97%
2.5g
 $2451.00 2024-04-20
A2B Chem LLC
AW30926-5g
1-(Difluoromethyl)-3-isocyanatobenzene
 27181-22-2 97%
5g
 $3610.00 2024-04-20

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