Grundinformationen
- Standard-SMILES
O=C(O)c1ccc2cc(O)ccc2c1- InChIKey
KAUQJMHLAFIZDU-UHFFFAOYSA-N- Summenformel
- C11H8O3
- Durchschnittliche Molmasse
- 188,18 g/mol
- Monoisotopische Masse
- 188,04734411
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxy-2-naphthoic acid
- IUPAC
- 6-hydroxynaphthalene-2-carboxylic acid
- Englischer Name
- 6-Hydroxy-2-naphthoic acid
- Summenformel
- C11H8O3
- Molmasse
- 188.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
16712-64-4- PubChem CID
- 85557
- DTXSID
DTXSID3029312- ChEMBL
CHEMBL278950- ChEBI
CHEBI:193581- UNII
- 72XA858I6P
- EC Number
- 240-759-7
- Nikkaji
- J167.279G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 227
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 240 · 240-250 °C (lit.)
- Siedepunkt
- 283.17 °C · 283.17°C (rough estimate)
- Dichte
- 1.21 · 1.2100 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.64 · 1.6400 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Insoluble in water
- Aggregatzustand
- Powder
- pka
- 4.34 · 4.34±0.30(Predicted)
- Farbe
- Pale brown
- Wasserlöslichkeit
- 99 mg/L · 99mg/L at 20℃
- BRN
- 2692084 · 2692084
- InChI
- 1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
- InChIKey
- KAUQJMHLAFIZDU-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc2cc(O)ccc2c1
- LogP
- 2.1 · 2.1
- CAS Datenbank
- 16712 · 16712-64-4(CAS DataBase Reference)
- EPA chemische Informationen
- 6 · 6-Hydroxy-2-naphthoic acid (16712-64-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (8 of 131) of reports.
Danger
H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (85.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (87%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 8 of 131 reports by companies.;There are 7 notifications provided by 123 of 131 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731
Regulatorische Informationen
Regulatory Information
2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29181990
- RTECS-Nr.
- QN3722500
- risk_code
- 36/37/38
- Toxizität
- rat,LD50,oral,3080mg/kg (3080mg/kg),PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVEGASTROINTESTINAL: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0534748,
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Material and Resin Manufacturing
2-Naphthalenecarboxylic acid, 6-hydroxy-: ACTIVE
Anwendungen
Verwenden6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material.
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