2,3-Naphthalenedicarboxylic acid
NAPHTHALENE-2,3-DICARBOXYLIC ACID · NAPHTHALICACID · 2,3-NAPHTHALICACID · RARECHEM AL BO 0619 · Naphthalin-2,3-dicarbonsure · ,3-Naphthalenedicarboxylic acid · naphthalene-2,3-dicarboxylicaci · 2,3-NAPHTHALENEDICARBOXYLIC ACID
Identifiers & Physical Properties
| CAS No. | 2169-87-1 |
|---|---|
| Molecular formula | C12H8O4 |
| Average molar mass | 216.19 g/mol |
| Monoisotopic mass | 216.04225874 g/mol |
| SMILES | O=C(O)c1cc2ccccc2cc1C(=O)O |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
| PubChem CID | 95073 |
| EC No. | 218-517-7 |
| DTXSID | DTXSID9062229 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 269 |
| Melting point | 238-240 °C (dec.) (lit.) |
| Boiling point | 316.6°C (rough estimate) |
| Density | 1.3023 (rough estimate) |
| Refractive index | 1.7080 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Solid |
| pKa (acidity coefficient) | 2.95±0.30(Predicted) |
| Color | Off-white |
| BRN | 1967507 |
| InChI | InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=CC=C2)=CC(C(O)=O)=C1C(O)=O |
| CAS DataBase Reference | 2169-87-1(CAS DataBase Reference) |
| FDA UNII | CE3YD57YJX |
| EPA Substance Registry System | 2,3-Naphthalenedicarboxylic acid (2169-87-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | 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) | 26-36/37/39 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29173995 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29173995 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P302+P352-P305+P351+P338 |
Applications & Uses
Description
2,3-Naphthalenedicarboxylic acid, also known as 2,3-naphthalic acid, belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety that bears a carboxylic acid group in one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings. 2,3-Naphthalenedicarboxylic acid is an important chemical intermediate with important applications in fine chemicals. It can be used as a raw material or intermediate for synthesizing liquid crystal display materials, medicines, pesticides, spices, and inks.
Uses
2,3-Naphthalenedicarboxylic Acid (cas# 2169-87-1) is a compound useful in organic synthesis.