Basic information
- CAS
1141-38-4- Standard SMILES
O=C(O)c1ccc2cc(C(=O)O)ccc2c1- InChIKey
RXOHFPCZGPKIRD-UHFFFAOYSA-N- Molecular formula
- C12H8O4
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.04225873
Names & identifiers
- Preferred name
- 2,6-Naphthalenedicarboxylic acid
- IUPAC
- naphthalene-2,6-dicarboxylic acid
- English name
- 2,6-NAPHTHALENEDICARBOXYLIC ACID
- Molecular formula
- C12H8O4
- Molecular weight
- 216.19
Names & synonyms
Show more names
Database identifiers
- CAS
1141-38-4- PubChem CID
- 14357
- DTXSID
DTXSID5029211- ChEMBL
CHEMBL1205452- ChEBI
CHEBI:44460- UNII
- K3C4DYZ29O
- EC Number
- 214-527-0
- Nikkaji
- J40.510H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Boiling point
- 316.6 °C · 316.6°C (rough estimate)
- Density
- 1.5 · 1.5
- refractive index
- 1.708 · 1.7080 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- very faint turbidity in hot Pyridine
- pka
- 3.69 · 3.69±0.30(Predicted)
- form
- Powder
- color
- white
- Water Solubility
- 3 μg/L · 3μg/L at 20℃
- BRN
- 2051257 · 2051257
- InChI
- InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
- InChIKey
- RXOHFPCZGPKIRD-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(C(O)=O)C=C2)=CC=C1C(O)=O
- LogP
- 2.22 · 2.22
- CAS DataBase Reference
- 1141 · 1141-38-4(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- 2 · 2,6-NAPHTHALENEDICARBOXYLIC ACID
- FDA 21 CFR
- 175.3 · 175.300
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 C4DYZ29O · K3C4DYZ29O
- EPA Substance Registry System
- 2 · 2,6-Naphthalenedicarboxylic acid (1141-38-4)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29173990 · 29173990
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 83.3% (15 of 18) of all reports.
Warning
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 15 of 18 reports by companies.;There are 2 notifications provided by 3 of 18 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2,6-Naphthalenedicarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26701
2,6-Naphthalenedicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatory information
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2,6-Naphthalenedicarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26701
2,6-Naphthalenedicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Plastics Material and Resin Manufacturing
2,6-Naphthalenedicarboxylic acid: ACTIVE
Applications
Uses2,6-naphthalenedicarboxylic acid is an important product for the manufacture of high strength and excellent dyeing properties of polyester fibers and F class insulation material, is an important monomer performance PEN, PBN, liquid crystal polymer (LCP) and polyurethane resin pharmaceutical and fine chemicals raw material.
Uses2,6-Naphthalenedicarboxylic acid (H2ndc) can be used in the formation of metal-organic coordination polymers (MOCPs) for potential applications in various fields such as adsorption, separation, and magnetism. It can also be used as a monomer in the production of polyesters. H2ndc can also be used in the synthesis of a metal-organic framework (MOF), which can further be used as a drug carrier.
UsesA polybasic acid intended for use as components of resinous and polymeric coatings that contact food.
General DescriptionThis product has been enhanced for energy efficiency.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: Naphthalene-2,6-dicarboxylic acid is a dicarboxylic acid. It derives from a hydride of a naphthalene.
Related reactions
Compound notes
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