Methyl 2-naphthoate

HCID 137605CAS 2459-25-8

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Basic information

Standard SMILES: COC(=O)c1ccc2ccccc2c1
InChIKey: IODOXLXFXNATGI-UHFFFAOYSA-N
Molecular formula: C12H10O2
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.06807956

Names & identifiers

Preferred name: Methyl 2-naphthoate
IUPAC: methyl naphthalene-2-carboxylate
English name: METHYL 2-NAPHTHOATE
Molecular formula: C12H10O2
Molecular weight: 186.21

Names & synonyms

Methyl 2-naphthoate2-Naphthalenecarboxylic acid, methyl esterMethyl 2-naphthalenecarboxylate2-Naphthoic acid, methyl esterDTXSID50179336RefChem:157368DTXCID80101827IODOXLXFXNATGI-UHFFFAOYSA-NNSC 174932459-25-8methyl naphthalene-2-carboxylateMFCD00017345

Show more names

SKL467RARECHEM AL BF 0094Methyl2-naphthoate,97%Methyl 2-naphthoate 97%2-Carbomethoxynaphthalene1-methyl-2-naphthalenecarboxylate

METHYL-2-NAPHTHOATEMethyl 2-naphthoate, 97%2-Naphthalenecarboxylic acid methyl esterNSC17493FS-1322SY078684EN300-44162Z18318423

Database identifiers

CAS: 2459-25-8
PubChem CID: 137605
DTXSID: DTXSID50179336
EC Number: 672-523-8
Nikkaji: J274.469D

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 212

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 75 · 75-77 °C (lit.)
Boiling point: 290 °C · 290 °C (lit.)
Density: 1.1032 · 1.1032 (rough estimate)
refractive index: 1.601 · 1.6010 (estimate)
Flash point: 290 °C · 290°C
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Chloroform
form: powder to crystal
color: White to Almost white
BRN: 2046448 · 2046448
InChI: 1S/C12H10O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey: IODOXLXFXNATGI-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc2ccccc2c1
CAS DataBase Reference: 2459 · 2459-25-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2916399090 · 2916399090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesMethyl 2-naphthoate is also an important organic intermediate in engineering plastics and pharmaceuticals, especially as a monomer for special high-temperature resistant synthetic materials. It can also be used as an intermediate in plastics and polyester fibers, and the world's most advanced high-temperature resistant polymer materials are manufactured using methyl 2-naphthoate as the main raw material.