2-Naphthoic acid (HCID 7123)

Namen und Bezeichner

Bevorzugter Name: 2-Naphthoic acid
IUPAC: naphthalene-2-carboxylic acid
Lokaler Name: 2-Naphthoesure
Englischer Name: 2-Naphthoic acid
Summenformel: C11H8O2
Molmasse: 172.18

Namen und Synonyme

2-Naphthoic acid93-09-42-Naphthalenecarboxylic acidNAPHTHALENE-2-CARBOXYLIC ACIDIsonaphthoic acidbeta-Naphthoic acidQLG01V0W2LNSC-59901DTXSID1059078CHEBI:36106RefChem:477100DTXCID2048828

Weitere Namen anzeigen

2-naphthoicnaphthalene-2-carboxylate0/4/932-maythicacid2-phthoic acid2-NAPHTOIC ACIDB-NAPHTHOIC ACID3-Naphthoic acid

202-217-82-Carboxynaphthalene2-Maythic acidMFCD00004101.beta.-Naphthoic acidNaphthalene-beta-carboxylic acidEINECS 202-217-8NSC 59901

Datenbank-Bezeichner

CAS: 93-09-4
PubChem CID: 7123
DTXSID: DTXSID1059078
ChEMBL: CHEMBL114648
ChEBI: CHEBI:36106
UNII: QLG01V0W2L
EC Number: 202-217-8
Nikkaji: J10.599F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 200

Experimentelle und physikochemische Eigenschaften

Flash Point205 °C

Physical DescriptionCrystals from 95% alcohol; [Merck Index] Colorless solid, almost insoluble in water; [MSDSonline]

Dissociation Constants4.18

Kovats Retention Index289.55

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-187 °C(lit.)
Siedepunkt: 300 °C · 300 °C
Dichte: 1.08 · 1.08
Brechungsindex: 1.552 · 1.5520 (estimate)
Flammpunkt: 205 °C · 205 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: alcohol: soluble
Aggregatzustand: Powder
pka: 4.17 · 4.17(at 25℃)
Farbe: White to beige
PH: 4.5 · 4.5 (H2O, 20℃)
Wasserlöslichkeit: 0.5 g/L · <0.5 g/L (20 C)
Merck: 14 · 14,6382
BRN: 972039 · 972039
InChI: 1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc2ccccc2c1
CAS Datenbank: 93 · 93-09-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Naphthalenecarboxylic acid(93-09-4)
EPA chemische Informationen: 2 · 2-Naphthalenecarboxylic acid (93-09-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Einträge

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryModerate skin and mucous membrane irritant; [Merck Index] See 3-Hydroxy-2-naphthalenecarboxylic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (98%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29163900
RTECS-Nr.: QL1050000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25-36/373/39
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Naphthalenecarboxylic acid: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Naphthoic acid is an unprotected acid undergoes lithiation, e.g. with s-BuLi, by stereospecific 1,4-addition, providing a facile route to 1,2,2-trisubstituted 1,2-dihydronaphthalenes. It is also used as an intermediate in organic synthesis. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.