2-Ethoxynaphthalene-1-carbaldehyde

HCID 88099CAS 19523-57-0

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Basic information

Standard SMILES: CCOc1ccc2ccccc2c1C=O
InChIKey: IMNKQTWVJHODOS-UHFFFAOYSA-N
Molecular formula: C13H12O2
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.08372962

Names & identifiers

Preferred name: 2-Ethoxynaphthalene-1-carbaldehyde
IUPAC: 2-ethoxynaphthalene-1-carbaldehyde
English name: 2-Ethoxy-1-naphthaldehyde
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

2-Ethoxynaphthalene-1-carbaldehydeEINECS 243-126-3NSC 74560RefChem:471677243-126-32-Ethoxy-1-naphthaldehyde19523-57-01-Naphthalenecarboxaldehyde, 2-ethoxy-MFCD000464272-Ethoxynaphthaldehyde1-Naphthaldehyde, 2-ethoxy-NSC74560

Show more names

AURORA 10833AKOS BBS-00008219TIMTEC-BB SBB005569OTAVA-BB BB7014792364Pardoprunox Impurity 202-Ethoxy-1-naphtaldehyde2-ETHOXY-1-NAPHTALDEHYDE 98%2-Ethoxy-1-naphtaldehyde,98%

NSC-74560DTXSID4075164BBL023137STK072389NCGC00328070-01E07942-ethoxynaphthalenecarbaldehyde2-Ethoxy-1-Naphthalenecarboxaldehyde

Database identifiers

CAS: 19523-57-0
PubChem CID: 88099
DTXSID: DTXSID4075164
UNII: YKM5KU32D5
EC Number: 243-126-3
Nikkaji: J242.842C

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 215

Physicochemical properties

Melting point: 109 · 109-113 °C
Boiling point: 297.96 °C · 297.96°C (rough estimate)
Density: 1.0907 · 1.0907 (rough estimate)
refractive index: 1.611 · 1.6110 (estimate)
solubility: DCM
form: Yellow Crystal
color: White to Light red to Green
Sensitive: Air Sensitive
BRN: 1073578 · 1073578
CAS DataBase Reference: 19523 · 19523-57-0(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Naphthalenecarboxaldehyde, 2-ethoxy- (19523-57-0)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 318 · H318-H319
Precautionary statements: 264 · P264-P280i-P305+P351+P338-P337+P313-P280-P305+P351+P338+P310
Hazard Codes: Xi
Safety Statements: 24 · 24/25
HS Code: 2912.49 · 2912.49.2600
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

hs_code: 2912.49.2600
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H318-H319
Precautionary statements: P264-P280i-P305+P351+P338-P337+P313-P280-P305+P351+P338+P310