2-Methoxy-1,4-Naphthoquinone (HCID 16871)

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-1,4-Naphthoquinone
IUPAC: 2-methoxynaphthalene-1,4-dione
Englischer Name: 2-METHOXY-1,4-NAPHTHOQUINONE
Summenformel: C11H8O3
Molmasse: 188.18

Namen und Synonyme

2-Methoxy-1,4-naphthoquinone2348-82-52-methoxynaphthalene-1,4-dionelawsone methyl ether1,4-Naphthalenedione, 2-methoxy-2-Methoxynaphthoquinone2-Methoxy-p-naphthoquinone1,4-NAPHTHOQUINONE, 2-METHOXY-DTXSID106233839020BUT1DNSC-31530CHEBI:69522

Weitere Namen anzeigen

Lawsone Impurity 32-methoxy-4-naphthoquinone2-Methoxy-1,4-naphtoquinone2-methoxy-4-naphthalenedione

RefChem:474125DTXCID70368782-methoxy-1,4-dihydronaphthalene-1,4-dioneMFCD000195392-methoxy-1,4-napthoquinoneCHEMBL1065622-Methoxy-1,4-naphthalenedioneNSC 31530

Datenbank-Bezeichner

CAS: 2348-82-5
PubChem CID: 16871
DTXSID: DTXSID1062338
ChEMBL: CHEMBL106562
ChEBI: CHEBI:69522
UNII: 39020BUT1D
EC Number: 627-454-8
Nikkaji: J40.498E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 304

Physikochemische Eigenschaften

Schmelzpunkt: 184 · 184-187 °C(lit.)
Siedepunkt: 283.17 °C · 283.17°C (rough estimate)
Dichte: 1.21 · 1.2100 (rough estimate)
Brechungsindex: 1.64 · 1.6400 (estimate)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: 50 mg/mL · DMSO : 50 mg/mL (265.70 mM; Need ultrasonic)
Aggregatzustand: Solid
Farbe: Light yellow to yellow
Wasserlöslichkeit: 31.23 mg/L · 31.23mg/L(temperature not stated)
InChI: 1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKey: OBGBGHKYJAOXRR-UHFFFAOYSA-N
SMILES: COC1=CC(=O)c2ccccc2C1=O
EPA chemische Informationen: 2 · 2-Methoxy-1,4-naphthoquinone (2348-82-5)

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 (100%): 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 41 reports by companies from 4 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: 1,4-Naphthalenedione, 2-methoxy-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

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

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 1,4-Naphthalenedione, 2-methoxy-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
RTECS-Nr.: QL8960000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,4-Naphthalenedione, 2-methoxy-: INACTIVE

Anwendungen

Verwenden2-Methoxy-1,4-naphthoquinone was used in the preparation of 2-(4-X-phenylene)amine-1,4-naphthoquinones (X= ferrocenyl, OMe, Me, I, Cl and NO2).

Anbieter48 Anbieter

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

云南西力生物技术股份有限公司0871-65217109 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.