CAS 7498-58-0 7-Methoxynaphthalene-1-carboxylic acid (HCID 348294)

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Basic information

CAS: 7498-58-0
Standard SMILES: COc1ccc2cccc(C(=O)O)c2c1
InChIKey: IWXCQSJYXQESCP-UHFFFAOYSA-N
Molecular formula: C12H10O3
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.06299418

Names & identifiers

Preferred name: 7-Methoxynaphthalene-1-carboxylic acid
IUPAC: 7-methoxynaphthalene-1-carboxylic acid
English name: 1-Naphthalenecarboxylicacid, 7-methoxy-
Molecular formula: C12H10O3
Molecular weight: 202.21

Names & synonyms

7-methoxynaphthalene-1-carboxylic acidRefChem:546732970-990-57498-58-07-Methoxy-1-naphthoic acid1-Naphthalenecarboxylicacid, 7-methoxy-NSC 407557CTK2I1073NSC4075571-Naphthalenecarboxylic acid, 7-methoxy-3-Methoxy-5-naphthoic acid7-Methoxy-1-naphthoic acid #

Show more names

7-methoxynaphthalene-1-carboxylicacid

SCHEMBL3327762DTXSID003246977-methoxy-1-naphthalenecarboxylicacidEBC-267077NSC-407557EN300-100630F81669

Database identifiers

CAS: 7498-58-0
PubChem CID: 348294
DTXSID: DTXSID00324697
EC Number: 970-990-5

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 168.5 · 168.5-169 °C
Boiling point: 403.3 · 403.3±18.0 °C(Predicted)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
pka: 3.54 · 3.54±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.