HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-2-naphthol
2-Naphthalenol, 1-bromo- · wormin · disthemin · AKOS BBB/376 · Bromonaphthol · 1-brom-2-naphthol · 1-bromo-2-naphtho · 1-Bromo-b-naphthol
Identifiers & Physical Properties
| CAS No. | 573-97-7 |
|---|---|
| Molecular formula | C10H7BrO |
| Average molar mass | 223.07 g/mol |
| Monoisotopic mass | 221.96802694 g/mol |
| SMILES | Oc1ccc2ccccc2c1Br |
| InChIKey | FQJZPYXGPYJJIH-UHFFFAOYSA-N |
| PubChem CID | 11316 |
| ChEMBL | CHEMBL1414294 |
| EC No. | 209-363-1 |
| DTXSID | DTXSID20205919 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 160 |
| Chemical classes | Other Classes -> Naphthols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Light red powder[Alfa Aesar MSDS] |
| Melting point | 78-81 °C (lit.) |
| Boiling point | 130°C |
| Density | 1.4412 (rough estimate) |
| Refractive index | 1.5700 (estimate) |
| Storage conditions | Inert atmosphere,Room Temperature |
| pKa (acidity coefficient) | 7.28±0.50(Predicted) |
| Physical state | Crystalline Powder |
| Color | Off-white to beige or brown-purple |
| BRN | 2044001 |
| InChI | InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H |
| InChIKey | FQJZPYXGPYJJIH-UHFFFAOYSA-N |
| SMILES | C1(Br)=C2C(C=CC=C2)=CC=C1O |
| CAS DataBase Reference | 573-97-7(CAS DataBase Reference) |
| FDA UNII | VKE7L55PP9 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | QL3361000 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29081000 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 2-Naphthalenol, 1-bromo-1-Bromo-2-naphthol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See 2-Naphthol. |
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | QL3361000 |
| Customs code | 29081000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
1-Bromo-2-naphthol is a dye intermediate used in organic synthesis. This product is also an anthelmintic used for hookworm infections.