2,6-Naphthalenedicarboxylic acid

HCID 14357

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

2,6-Naphthalenedicarboxylic acid1141-38-4naphthalene-2,6-dicarboxylic acid2,6-NAPHTHALIC ACID2,6-DICARBOXYNAPHTHALENEDTXSID5029211K3C4DYZ29ODTXCID009211CHEBI:44460RefChem:445809214-527-0MFCD00004105
Show more names
DK7461JACS-1141-38-4TIMTEC-BB SBB008377Adiphenine Impurity 112,6-Naphthalenedioic acid2,6-phthalenedicarboxylic Acid
2,6-naphthalene-dicarboxylic acidNSC-964102,6-Naphthalic Acid||||NSC 964102,6-naphthalene dicarboxylic acidEINECS 214-527-0NSC 96410UNII-K3C4DYZ29O2,6-napthalenedicarboxylic acid

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

Experimental & physicochemical properties

Physical DescriptionDry Powder

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 5 items

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.

Hazard Classes and CategoriesSkin Irrit. 2 (16.7%);Eye Irrit. 2A (16.7%)

Regulatory information

Regulatory Information · 5 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb;2022: 500,000 - <1,000,000 lb;2021: 500,000 - <1,000,000 lb;2020: 500,000 - <1,000,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

2,6-Naphthalenedicarboxylic acid: ACTIVE

Applications · 4 items

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.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]

Additional notes

DefinitionChEBI: Naphthalene-2,6-dicarboxylic acid is a dicarboxylic acid. It derives from a hydride of a naphthalene.

Related reactions

32 records

Compound notes

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