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| CAS No.: | 878-23-9 |
|---|---|
| Name: | 2-Bromo-1-ethylpyridinium tetrafluoroborate |
| Article Data: | 5 |
| Molecular Structure: | |
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|
|
| Formula: | C7H9BrN.BF4 |
| Molecular Weight: | 273.864 |
| Synonyms: | Bromoethylpyridiniumtetrafluoroborate; |
| EINECS: | 212-900-2 |
| Melting Point: | 102-104 °C |
| Solubility: | very faint turbidity |
| Appearance: | white crystals |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 3.88000 |
| LogP: | 3.05650 |
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Specification
This chemical is called 2-Bromo-1-ethylpyridinium tetrafluoroborate, and it can also be named as PC8735. With the molecular formula of C7H9BrN.BF4, its molecular weight is 273.86. The CAS registry number of this chemical is 878-23-9, and its product categories are B (Classes of Boron Compounds); Condensation & Active Esterification; Pyridinium Compounds; Synthetic Organic Chemistry; Tetrafluoroborates. In addition, this chemical should be kept cool and dry.
Other characteristics of the 2-Bromo-1-ethylpyridinium tetrafluoroborate can be summarised as followings: (1)ACD/LogP: -2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.89; (4)ACD/LogD (pH 7.4): -2.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.88 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful and irritating by inhalation, in contacting with skin / eyes and if swallowed. Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1[n+](cccc1)CC.F[B-](F)(F)F
2.InChI: InChI=1/C7H9BrN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1
3.InChIKey: YJDXVQLBIAJTHP-UHFFFAOYAL