

3-Bromo-4-methoxybenzonitrile
Catalog No: FT-0615164
CAS No: 117572-79-9
- Molecular Formula: 212.04
- Formula Weight: C8H6BrNO
- Inchl Key: QHWZMDRKTYTPEE-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Symbol: | GHS07 |
---|---|
CAS: | 117572-79-9 |
Flash_Point: | 124.9±21.8 °C |
Product_Name: | 3-Bromo-4-methoxybenzonitrile |
Bolling_Point: | 282.8±20.0 °C at 760 mmHg |
FW: | 212.043 |
Melting_Point: | 122-124 °C(lit.) |
MF: | C8H6BrNO |
Density: | 1.6±0.1 g/cm3 |
Refractive_Index: | 1.584 |
---|---|
Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
Flash_Point: | 124.9±21.8 °C |
LogP: | 2.15 |
Bolling_Point: | 282.8±20.0 °C at 760 mmHg |
PSA: | 33.02000 |
Molecular_Structure: | ['1. Molar refractive index 454 ', '2. Molar volume 1356 ', '3. Parachor (902K)3626 ', '4. Surface tension 511 ', '5. Dielectric constant N/A ', '6. Polarizability 18 ', '7. Single isotope mass 210963269 Da ', '8. Nominal mass 211 Da ', '9. Average mass 2120433 Da'] |
Computational_Chemistry: | ['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 33 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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: | 122-124 °C(lit.) |
MF: | C8H6BrNO |
Exact_Mass: | 210.963272 |
FW: | 212.043 |
Density: | 1.6±0.1 g/cm3 |
More_Info: | ['1 . Appearance 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)122-124 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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 Unknow'] |
Symbol: | GHS07 |
---|---|
RIDADR: | 3439 |
HS_Code: | 2926909090 |
Packing_Group: | III |
Hazard_Class: | 6.1 |
Risk_Statements(EU): | R20/21/22;R36/37/38 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
Hazard_Codes: | Xn:Harmful; |
Warning_Statement: | P261-P280-P305 + P351 + P338 |
Safety_Statements: | H302-H312-H315-H319-H332-H335 |
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