2-Naphthyloxyessigsure

2-Naphthoxyacetic acid

HCID 8422CAS 120-23-0

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Grundinformationen

Standard-SMILES: O=C(O)COc1ccc2ccccc2c1
InChIKey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
Summenformel: C12H10O3
Durchschnittliche Molmasse: 202,21 g/mol
Monoisotopische Masse: 202,06299418

Überblick

2-naphthyloxyacetic acid is a naphthyloxyacetic acid.

Namen und Bezeichner

Bevorzugter Name: 2-Naphthoxyacetic acid
IUPAC: 2-naphthalen-2-yloxyacetic acid
Lokaler Name: 2-Naphthyloxyessigsure
Englischer Name: 2-Naphthoxyacetic acid
Summenformel: C12H10O3
Molmasse: 202.21

Namen und Synonyme

2-Naphthoxyacetic acid120-23-0(2-Naphthyloxy)acetic acid2-Naphthyloxyacetic acidBetoxon2-NoxaNOXABetapalBETA-NAPHTHOXYACETIC ACIDO-(2-Naphthyl)glycolic acidBetoksonbeta-Naphthyloxyacetic acid

Weitere Namen anzeigen

BNOBNOA(2-Naphthalenyloxy)acetic acidβ-Naphthoxyacetic acidnoaBerapal

(beta-Naphthalenyloxy)acetic acidDTXSID2042195717GVR334RNSC-2070DTXCID0022195CHEBI:50397RefChem:910128204-380-0

Datenbank-Bezeichner

CAS: 120-23-0
PubChem CID: 8422
DTXSID: DTXSID2042195
ChEMBL: CHEMBL1732186
ChEBI: CHEBI:50397
UNII: 717GVR334R
EC Number: 204-380-0
Nikkaji: J5.322H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 227

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Pesticides · 2 Einträge

Plant Growth Regulators

Active substance -> EU Pesticides database: Not approved

LogP2.530

Melting Point156 °C

Physical DescriptionSolid

Collision Cross Section151.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2042195]

Physikochemische Eigenschaften

Schmelzpunkt: 151 · 151-154 °C(lit.)
Siedepunkt: 300.32 °C · 300.32°C (rough estimate)
Dichte: 1.1868 · 1.1868 (rough estimate)
Brechungsindex: 1.544 · 1.5440 (estimate)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Soluble in DMSO
pka: 3.18 · 3.18±0.30(Predicted)
Aggregatzustand: crystalline
Farbe: gray
Wasserlöslichkeit: Soluble in alcohol, ether, acetic acid and dimethyl sulfoxide. Slightly soluble in water.
Merck: 14 · 14,6397
BRN: 1074148 · 1074148
Henry's Law Constant: 3.5 · 3.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc2ccccc2c1
LogP: 2.53 · 2.530
CAS Datenbank: 120 · 120-23-0(CAS DataBase Reference)
NIST chemische Informationen: Acetic acid, (2-naphthyloxy)-(120-23-0)
EPA chemische Informationen: Naphthoxyacetic acid (120-23-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Acetic acid, (2-naphthalenyloxy)-

Commission Regulation (EC) No 33/2008

2009/65, Reg. (EU) No 1127/2011

(2-Naphthalenyloxy)acetic 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 CategoriesAcute Tox. 4 (100%)