Cas no 62811-39-6 ((2-nitroprop-2-en-1-yl)benzene)

(2-nitroprop-2-en-1-yl)benzene is a versatile organic compound characterized by its aromatic ring and nitro substituent. It exhibits excellent solubility in organic solvents, making it suitable for various synthetic applications. Its reactive nitro group allows for facile nucleophilic substitution reactions, facilitating the synthesis of complex organic molecules. The compound's unique structure and reactivity make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals.
(2-nitroprop-2-en-1-yl)benzene structure
62811-39-6 structure
Product Name:(2-nitroprop-2-en-1-yl)benzene
CAS No:62811-39-6
MF:C9H9NO2
MW:163.173262357712
MDL:MFCD03844715
CID:430638
PubChem ID:575754
Update Time:2025-07-31

(2-nitroprop-2-en-1-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, (2-nitro-2-propenyl)-
    • 2-NITRO-1-PHENYLPROPENE,
    • 2-NITROPROP-1-ENYLBENZENE
    • 2-nitroprop-2-enylbenzene
    • (2-nitroprop-2-en-1-yl)benzene
    • (2-Nitro-2-propenyl)benzene #
    • (2-Nitro-2-propenyl)benzene
    • DTXSID90341792
    • EN300-1608775
    • SCHEMBL3890227
    • 62811-39-6
    • (2-Nitroallyl)-benzene
    • MDL： MFCD03844715
    • Inchi： 1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2
    • InChI Key： IOLFAUFETSIJDP-UHFFFAOYSA-N
    • SMILES： [O-][N+](C(=C)CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 163.06337
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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: 2.6
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14

(2-nitroprop-2-en-1-yl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
D585379-1g
(2'-nitro-2'propenyl)benzene
 62811-39-6 95%
1g
 $1250 2024-08-03
Enamine
EN300-1608775-0.05g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
0.05g
 $345.0 2023-06-04
Enamine
EN300-1608775-0.1g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
0.1g
 $516.0 2023-06-04
Enamine
EN300-1608775-0.25g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
0.25g
 $735.0 2023-06-04
Enamine
EN300-1608775-0.5g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
0.5g
 $1158.0 2023-06-04
Enamine
EN300-1608775-1.0g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
1g
 $1485.0 2023-06-04
Enamine
EN300-1608775-2.5g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
2.5g
 $3118.0 2023-06-04
Enamine
EN300-1608775-5.0g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
5g
 $6161.0 2023-06-04
Enamine
EN300-1608775-10.0g
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95%
10g
 $12026.0 2023-06-04
Enamine
EN300-1608775-50mg
(2-nitroprop-2-en-1-yl)benzene
 62811-39-6 95.0%
50mg
 $345.0 2023-09-23

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