HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bicyclo[2.2.1]heptane-2-carboxylic acid
Einecs 212-532-2 · TIMTEC-BB SBB008208 · 2-NORBORNANECARBOXYLIC ACID · NORBORNANE-2-CARBOXYLIC ACID · Bicyclo(2.2.1) Heptane-2-Barboxy · Bicyclo2.2.1üheptane-2-carboxylic acid · BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID · norbornane-2-carboxylic acid - [N87486]
![Bicyclo[2.2.1]heptane-2-carboxylic acid molecular structure](/img/chemical/79113.png)
Identifiers & Physical Properties
| CAS No. | 824-62-4 |
|---|---|
| Molecular formula | C8H12O2 |
| Average molar mass | 140.18 g/mol |
| Monoisotopic mass | 140.08372962 g/mol |
| SMILES | O=C(O)C1CC2CCC1C2 |
| InChIKey | JESWDXIHOJGWBP-UHFFFAOYSA-N |
| PubChem CID | 79113 |
| EC No. | 212-532-2 |
| DTXSID | DTXSID90901315 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 165 |
| Melting point | 40°C |
| Boiling point | 134-136°C 16mm |
| Density | 1.193±0.06 g/cm3(Predicted) |
| Refractive index | 1.4855 |
| Flash point | >100°C |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | crystals |
| pKa (acidity coefficient) | 4.83±0.20(Predicted) |
| Color | White |
| Solubility | Insoluble in water. |
| BRN | 2042631 |
| CAS DataBase Reference | 824-62-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Bicyclo(2.2.1)heptane-2-carboxylic acid(824-62-4) |
| GHS pictogram | GHS05 |
| Signal word | Warning |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/38 |
| Safety statements (S) | 26-36 |
| UN transport number | UN3261 |
| Hazard Note | Irritant |
| Hazard class | 8 |
| Customs code | 2916200090 |
Safety & Regulations
| GHS classification | DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (83.3%)Eye Dam. 1 (100%) |
| UN transport number | UN3261 |
| Customs code | 2916200090 |
| Risk statements (R) | 36/38 |
| Signal word | Warning |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| Hazard class | 8 |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
Norbornane-2-carboxylic acid is used in the preparation of 2-Bromonorbornane-1-carboxylic acid. It is also used as Pharmaceutical intermediates.