3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
- CAS NO.：120511-84-4
- Empirical Formula: C15H17BrN2
- Molecular Weight: 305.21
- MDL number: MFCD07782114
- EINECS: 601-717-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-22 12:34:28
What is 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide?
Chemical properties
Off-White Solid
The Uses of 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
α,α,α’,α’-Tetramethyl-5-bromomethyl-1,3-benzenediacetonitrile (Anastrozole EP Impurity C) is an impurity of Anastrozole(impurity D).
The Uses of 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
α,α,α’,α’-Tetramethyl-5-bromomethyl-1,3-benzenediacetonitrile (Anastrozole EP Impurity C) is an impurity of Anastrozole (A637425) (impurity D).
Properties of 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
| Melting point: | 98-100°C |
| Boiling point: | 380.0±37.0 °C(Predicted) |
| Density | 1.276±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3 |
| CAS DataBase Reference | 120511-84-4(CAS DataBase Reference) |
Safety information for 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P330:Rinse mouth. P363:Wash contaminated clothing before reuse. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P403:Store in a well-ventilated place. |
Computed Descriptors for 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
| InChIKey | IHXHGCDOJLOZML-UHFFFAOYSA-N |
| SMILES | C1(C(C)(C)C#N)=CC(CBr)=CC(C(C)(C)C#N)=C1 |
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