HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Naphthoic acid
1-NAPHTHALENECARBOXYLIC ACID · NAPHTHALENE-1-CARBOXYLIC ACID · NSC 37569 · 1-naphthoic · 1-phthoic acid · 1-Naphthoesure · 1-NAPTHOIC ACID · 1-Naphtoic Acid
Identifiers & Physical Properties
| CAS No. | 1320-04-3 |
|---|---|
| Molecular formula | C11H8O2 |
| Average molar mass | 172.18 g/mol |
| Monoisotopic mass | 172.05242949 g/mol |
| SMILES | O=C(O)c1cccc2ccccc12 |
| InChIKey | LNETULKMXZVUST-UHFFFAOYSA-N |
| PubChem CID | 6847 |
| ChEMBL | CHEMBL1160 |
| ChEBI | CHEBI:36466 |
| EC No. | 201-681-9 |
| DTXSID | DTXSID50861668 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 200 |
| Melting point | 157-160 °C (lit.) |
| Boiling point | 300 °C (lit.) |
| Density | 1.398 |
| Refractive index | 1.4600 (estimate) |
| Flash point | 195°C |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Slightly soluble in hot waterfreely soluble in hot ethanol, etherFreely soluble in hot alcohol and ether. Slightly soluble in hot water. |
| Physical state | Powder |
| pKa (acidity coefficient) | 3.7(at 25℃) |
| Color | Slightly yellow to brown |
| Specific gravity | 1.398 |
| PH Range | Non& uorescence (2.5) to blue & uorescence (3.5) |
| λmax | 293nm |
| Merck | 14,6381 |
| BRN | 1908896 |
| Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Major applications | Photoresists, recording materials, waveguides, battery, ink, rubber, plastic films, agriculture, cosmetics, Sunscreen, method for preserving food, drugs, biosensors |
| InChI | 1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13) |
| InChIKey | LNETULKMXZVUST-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc2ccccc12 |
| CAS DataBase Reference | 86-55-5(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 2NIV4O66BH |
| NIST Chemistry Reference | 1-Naphthalenecarboxylic acid(86-55-5) |
| EPA Substance Registry System | 1-Naphthalenecarboxylic acid (86-55-5) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H303-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-24/25-37 |
| Water hazard class (WGK) | 2 |
| RTECS number | QL0960000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29163900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | QL0960000 |
| Customs code | 29163900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-24/25-37 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H303-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
1-Naphthoic acid is used as an intermediate for the synthesis of pharmaceuticals, photochemicals, plant growth hormones, dyes and other organic compounds.