ChemicalBook--->CAS DataBase List--->840-65-3

840-65-3

840-65-3 Structure

840-65-3 Structure
IdentificationMore
[Name]

DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE
[CAS]

840-65-3
[Synonyms]

2,6-NAPHTHALENEDICARBOXYLIC ACID DIMETHYL ESTER
2,6-NAPHTHALIC ACID DIMETHYL ESTER
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE
DIMETHYL NAPHTHALENE-2,6-DICARBOXYLATE
NAPHTHALENE-2,6-DICARBOXYLIC ACID DIMETHYL ESTER
TIMTEC-BB SBB007910
2,6-Dicarbomethoxynaphthalene
Dimethyl ester of 2,6-naphthalenedicarboxylic acid
dimethyl2,6-naphthalate
NDC
Dimethyl-2,6-naphthalene dicaboxylate
ndcm
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE, 9 8%
2,6-NAPHTHALENEDICARBOXYLIC ACID DIMETHYL ESTER 99+%
2,6-NAPTHALENE DI-CARBOXYLIC ACID DIMETHYL ESTER
Dimethyl naphthalene-2,6-dicarboxylate, 99+%
[EINECS(EC#)]

212-661-4
[Molecular Formula]

C14H12O4
[MDL Number]

MFCD00004100
[Molecular Weight]

244.24
[MOL File]

840-65-3.mol
Chemical PropertiesBack Directory
[Melting point ]

187-193 °C(lit.)
[Boiling point ]

347.16°C (rough estimate)
[density ]

1.2379 (rough estimate)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.5389 (estimate)
[Fp ]

232°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Almost white
[Water Solubility ]

Soluble in hot toluene (very faint turbidity). Insoluble in water.
[BRN ]

987259
[Henry's Law Constant]

4.5×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
[InChI]

InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
[InChIKey]

GYUVMLBYMPKZAZ-UHFFFAOYSA-N
[SMILES]

C1=C2C(C=C(C(OC)=O)C=C2)=CC=C1C(OC)=O
[LogP]

3.5 at 25℃
[CAS DataBase Reference]

840-65-3(CAS DataBase Reference)
[EPA Substance Registry System]

Dimethyl 2,6-naphthalenedicarboxylate (840-65-3)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H300+H310+H330-H372-H413
[Precautionary statements ]

P501-P273-P260-P270-P262-P271-P264-P280-P284-P314-P361+P364-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2917.39.7000
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Hazard InformationBack Directory
[Uses]

Dimethyl naphthalene-2,6-dicarboxylate is used as a pharmaceutical intermediate.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

Methanol

67-56-1

2,6-NAPHTHALENEDICARBOXYLIC ACID

1141-38-4

DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE

840-65-3

To a round bottom flask was added 20 g of 2,6-naphthalenedicarboxylic acid dissolved in 150 mL of methanol and 15 mL of concentrated sulfuric acid was added as a catalyst. The reaction mixture was heated to reflux for 24 hours to complete the esterification reaction. Upon completion of the reaction, the mixture was slowly poured into 500 mL of ice water to quench the reaction. The resulting white precipitate was collected by diafiltration and washed with plenty of water to remove residual acid and methanol. Finally, the product was dried in a vacuum drying oven to give 20 g of dimethyl 2,6-naphthalenedicarboxylate in 89% yield.

[References]

[1] Patent: CN103864711, 2016, B. Location in patent: Paragraph 0102; 0103; 0104
[2] RSC Advances, 2014, vol. 4, # 35, p. 18100 - 18107
Spectrum DetailBack Directory
[Spectrum Detail]

DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3)MS
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3)1HNMR
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3)13CNMR
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3)IR1
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3)IR2
DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Dimethyl naphthalene-2,6-dicarboxylate, 99+%(840-65-3)
[Sigma Aldrich]

840-65-3(sigmaaldrich)
[TCI AMERICA]

Dimethyl 2,6-Naphthalenedicarboxylate,>99.0%(GC)(840-65-3)
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