1,2-Bis(cyanomethyl)benzene (CAS: 613-73-0) - Chemical Structure and Molecular Formula
1,2-Bis(cyanomethyl)benzene (CAS: 613-73-0) - Chemical Structure Thumbnail

1,2-Bis(cyanomethyl)benzene

Catalog No:   FT-0606304

CAS No:   613-73-0

  • Chemical Name:  1,2-Bis(cyanomethyl)benzene
  • Molecular Formula:  C10H8N2
  • Molecular Weight:  156.18
  • InChI Key:  FWPFXBANOKKNBR-UHFFFAOYSA-N
  • InChI:  InChI=1S/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2
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
Melting_Point: 57-59 °C(lit.)
CAS: 613-73-0
MF: C10H8N2
Flash_Point: 157.7±16.2 °C
Product_Name: m-Bis(cyanomethyl)benzene
Density: 1.1±0.1 g/cm3
FW: 156.184
Bolling_Point: 325.4±22.0 °C at 760 mmHg
Refractive_Index: 1.550
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Flash_Point: 157.7±16.2 °C
LogP: 0.85
Bolling_Point: 325.4±22.0 °C at 760 mmHg
PSA: 47.58000
Molecular_Structure: ['五分子性质数据 ', '1 . Molar refractive index 4517 ', '2 . Molar volume （m3/mol）1418 ', '3 . Parachor （902K）3770 ', '4 . Surface tension 499 ', '5 . Polarizability （10 -24cm 3）1791']
Computational_Chemistry: ['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 476 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :201 ', '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']
Melting_Point: 57-59 °C(lit.)
MF: C10H8N2
Exact_Mass: 156.068741
FW: 156.184
Density: 1.1±0.1 g/cm3
Hazard_Class: 6.1
Risk_Statements(EU): R20/21/22;R36/37/38
WGK_Germany: 1
RIDADR: 3276
Hazard_Codes: Xn:Harmful;
HS_Code: 2926909090
Safety_Statements: S36/37-S36/37/39-S26
Packing_Group: III

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