CAS 605-70-9 1,4-Naphthalenedicarboxylic acid (HCID 69065)

Names & identifiers

Preferred name: 1,4-Naphthalenedicarboxylic acid
IUPAC: naphthalene-1,4-dicarboxylic acid
English name: 1,4-Naphthalenedicarboxylic acid
Molecular formula: C12H8O4
Molecular weight: 216.19

Names & synonyms

1,4-Naphthalenedicarboxylic acid605-70-984HFA3F9GPEINECS 210-094-7DTXSID2060545Naphthalene-1,4-dicarboxlic acidRefChem:73363DTXCID5042821210-094-7ABMFBCRYHDZLRD-UHFFFAOYSA-NNaphthalene-1,4-dicarboxylic acidMFCD00014312

Show more names

1,4-NAPHTHALIC ACIDDK7269DK74601,4-NaphthaL1,4-naphthalateAdiphenine Impurity 10Naphthalin-1,4-dicarbonsure1, 4 - naphthalene diforMate4-Naphthalenedicarboxylic acid

1,4-NaphthalicacidUNII-84HFA3F9GPnaphthaline-1,4-dicarboxylic acidAKOS015856051CS-W0148561,4-Naphthalenedicarboxylic acid, 94%AC-11690AS-10797

Database identifiers

CAS: 605-70-9
PubChem CID: 69065
DTXSID: DTXSID2060545
UNII: 84HFA3F9GP
EC Number: 210-094-7
Nikkaji: J94.932I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 269

Physicochemical properties

Melting point: 300 °C · >300 °C (lit.)
Boiling point: 490.2 · 490.2±28.0 °C(Predicted)
Density: 1.54 g/cm3 · 1.54 g/cm3
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 2.71 · 2.71±0.10(Predicted)
color: White to Yellow to Orange
Water Solubility: Insoluble in water.
BRN: 2051255 · 2051255
InChI: InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1
CAS DataBase Reference: 605 · 605-70-9(CAS DataBase Reference)
FDA UNII: 84 HFA3F9GP · 84HFA3F9GP
EPA Substance Registry System: 1 · 1,4-Naphthalenedicarboxylic acid (605-70-9)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 1 · 1
TSCA: TSCA listed
HS Code: 29173990 · 29173990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.

Warning

H315 (93.9%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 28-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23950

1,4-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 (93.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 1
tsca: TSCA listed
hs_code: 29173990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,4-Naphthalenedicarboxylic acid: ACTIVE

Applications · 2 items

Description1,4-Naphthalenedicarboxylic acid is an important raw material for the production of polyester and other high-performance polymers. These polymers have excellent mechanical properties and thermal stability and are widely used in clothing materials, high-strength container materials and other fields.

UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.