2,5-DIMETHYLBENZONITRILE (CAS: 13730-09-1) - Chemical Structure and Molecular Formula
2,5-DIMETHYLBENZONITRILE (CAS: 13730-09-1) - Chemical Structure Thumbnail

2,5-DIMETHYLBENZONITRILE

Catalog No:   FT-0636946

CAS No:   13730-09-1

  • Chemical Name:  2,5-DIMETHYLBENZONITRILE
  • Molecular Formula:  C9H9N
  • Molecular Weight:  131.17
  • InChI Key:  OZOQTENKIVKILK-UHFFFAOYSA-N
  • InChI:  InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
FW: 131.17400
CAS: 13730-09-1
Melting_Point: 13ºC
Bolling_Point: 226.1ºC at 760mmHg
MF: C9H9N
Product_Name: 2,5-Dimethylbenzonitrile
Flash_Point: 95.7ºC
Density: 0.99g/cm3
FW: 131.17400
MF: C9H9N
Refractive_Index: 1.525
More_Info: ['1 . Melting point（ºC）13 ', '2 . Boiling point（ºC）2261 ', '3 . Flash point（ºC）957 ', '4 相对. Density(d204) 099 ', '5 . Refractive index(n20D)1525']
Vapor_Pressure: 0.0831mmHg at 25°C
Bolling_Point: 226.1ºC at 760mmHg
Exact_Mass: 131.07300
PSA: 23.79000
Computational_Chemistry: ['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :153 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure: ['1 . Molar refractive index 4056 ', '2 . Molar volume 1322 ', '3 . Parachor （902K）3295 ', '4 . Surface tension 386 ', '5 . Polarizability 1608']
LogP: 2.17508
Melting_Point: 13ºC
Flash_Point: 95.7ºC
Density: 0.99g/cm3
RIDADR: UN 3276
Risk_Statements(EU): R20/21/22
Hazard_Codes: Xi: Irritant;
HS_Code: 2926909090
Safety_Statements: 26-36/37/39

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