Cas no 514856-13-4 (3-Bromo-4,5-diethoxybenzonitrile)

3-Bromo-4,5-diethoxybenzonitrile structure
514856-13-4 structure
Product Name:3-Bromo-4,5-diethoxybenzonitrile
CAS No:514856-13-4
MF:C11H12BrNO2
MW:270.122482299805
MDL:MFCD02256587
CID:92918
PubChem ID:4122990
Update Time:2025-04-18

3-Bromo-4,5-diethoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4,5-diethoxybenzonitrile
    • 3-bromo-4,5-diethoxybenzenecarbonitrile
    • 3-bromo-4,5-diethoxy-benzonitrile
    • 514856-13-4
    • Z57756803
    • AS-61172
    • AKOS000305206
    • CS-0308178
    • DTXSID00399567
    • Methyl3-aminopropionatehydrochloride
    • MFCD02256587
    • EN300-110493
    • STK437201
    • MDL： MFCD02256587
    • Inchi： 1S/C11H12BrNO2/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-6H,3-4H2,1-2H3
    • InChI Key： DPLJNTWBXCKJOL-UHFFFAOYSA-N
    • SMILES： BrC1=CC(C#N)=CC(=C1OCC)OCC

Computed Properties

  • Exact Mass: 269.00500
  • Monoisotopic Mass: 269.005
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 238
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 42.2A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.41
  • Boiling Point: 321.8°C at 760 mmHg
  • Flash Point: 148.4°C
  • Refractive Index: 1.552
  • PSA: 42.25000
  • LogP: 3.11818
  • Solubility: Not determined

3-Bromo-4,5-diethoxybenzonitrile Security Information

  • Hazardous Material transportation number：UN3439
  • HazardClass：6.1
  • PackingGroup：III
  • Packing Group：III
  • Hazard Level：6.1
  • Packing Group：III
  • Safety Term：6.1

3-Bromo-4,5-diethoxybenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019098502-1g
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4 95%
1g
 $193.80 2023-09-01
Alichem
A019098502-5g
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4 95%
5g
 $775.17 2023-09-01
Alichem
A019098502-25g
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4 95%
25g
 $1791.30 2023-09-01
TRC
B801978-10mg
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4
10mg
 $ 50.00 2022-06-06
TRC
B801978-50mg
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4
50mg
 $ 115.00 2022-06-06
TRC
B801978-100mg
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4
100mg
 $ 185.00 2022-06-06
eNovation Chemicals LLC
D765758-0.25g
3-Bromo-4,5-diethoxybenzonitrile
 514856-13-4 99%
0.25g
 $210 2023-09-04
Enamine
EN300-110493-0.05g
3-bromo-4,5-diethoxybenzonitrile
 514856-13-4 95%
0.05g
 $46.0 2023-10-27
Enamine
EN300-110493-0.1g
3-bromo-4,5-diethoxybenzonitrile
 514856-13-4 95%
0.1g
 $73.0 2023-10-27
Enamine
EN300-110493-0.25g
3-bromo-4,5-diethoxybenzonitrile
 514856-13-4 95%
0.25g
 $105.0 2023-10-27

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