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| CAS No.: | 923590-95-8 |
|---|---|
| Name: | 4-BROMO-ISOINDOLINE HCL |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H9BrClN |
| Molecular Weight: | 234.523 |
| Synonyms: | 1H-isoindole, 4-bromo-2,3-dihydro-, hydrochloride (1:1);4-Bromoisoindoline hydrochloride (1:1);4-Bromoisoindoline HCl;4-Bromo-1H-isoindoline hydrochloride;ST51054116; |
| EINECS: | 618-839-1 |
| Melting Point: | 269-274°C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 12.03000 |
| LogP: | 3.31410 |
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Specification
The 4-Bromo-1H-isoindoline hydrochloride with CAS registry number of 923590-95-8 is also known as 4-Bromoisoindoline HCl. The IUPAC name is 4-Bromo-2,3-dihydro-1H-isoindole hydrochlorid. In addition, the formula is C8H9BrClN and the molecular weight is 234.52.
Physical properties about 4-Bromo-1H-isoindoline hydrochloride are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 0; (4)Exact Mass: 232.96069; (5)MonoIsotopic Mass: 232.96069; (6)Topological Polar Surface Area: 12; (7)Heavy Atom Count: 11; (8)Formal Charge: 0; (9)Complexity: 126.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: c1cc2c(c(c1)Br)CNC2.Cl
2. InChI: InChI=1/C8H8BrN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
3. InChIKey: FQHLHVFOJBANKY-UHFFFAOYAI
4. Std. InChI: InChI=1S/C8H8BrN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
5. Std. InChIKey: FQHLHVFOJBANKY-UHFFFAOYSA-N