4-Bromobenzonitrile


Catalog No:   FT-0617867

CAS No:   623-00-7

  • Molecular Formula:  182.02
  • Formula Weight: C7H4BrN
  • Inchl Key: HQSCPPCMBMFJJN-UHFFFAOYSA-N
  • Inchl: InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Bolling_Point: 236.8±13.0 °C at 760 mmHg
CAS: 623-00-7
MF: C7H4BrN
Melting_Point: 110-115 °C(lit.)
Symbol: Danger
Density: 1.6±0.1 g/cm3
FW: 182.017
Product_Name: 4-Bromobenzonitrile
Flash_Point: 97.0±19.8 °C
Bolling_Point: 236.8±13.0 °C at 760 mmHg
LogP: 2.42
More_Info: ['1 . Appearance White 晶状体粉末。 ', '2 . Density(g/mL,25/4℃)1562 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)111-114 ', '5 . Boiling point(ºC,Atmospheric pressure)235-237 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)130 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 02g/L。']
Computational_Chemistry: ['1. XlogP :N/A ', '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 :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :127 ', '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: 110-115 °C(lit.)
Vapor_Pressure: 0.0±0.5 mmHg at 25°C
Exact_Mass: 180.952698
MF: C7H4BrN
Density: 1.6±0.1 g/cm3
Refractive_Index: 1.606
PSA: 23.79000
Flash_Point: 97.0±19.8 °C
Molecular_Structure: ['1 . Molar refractive index 3904 ', '2 . Molar volume 1131 ', '3 . Parachor (902K)3040 ', '4 . Surface tension 521 ', '5 . Polarizability 1547']
FW: 182.017
Safety_Statements: H301
RIDADR: UN 3439 6.1/PG 3
WGK_Germany: 2
Hazard_Codes: Xn:Harmful
RTECS: DI2460000
HS_Code: 29269095
Risk_Statements(EU): R20/21/22;R36/37/38
Symbol: Danger
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard_Class: 6.1
Packing_Group: III
Warning_Statement: P301 + P310

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