CAS 2348-82-5 2-Methoxy-1,4-Naphthoquinone (HCID 16871)

Names & identifiers

Preferred name: 2-Methoxy-1,4-Naphthoquinone
IUPAC: 2-methoxynaphthalene-1,4-dione
English name: 2-METHOXY-1,4-NAPHTHOQUINONE
Molecular formula: C11H8O3
Molecular weight: 188.18

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 304

Physicochemical properties

Melting point: 184 · 184-187 °C(lit.)
Boiling point: 283.17 °C · 283.17°C (rough estimate)
Density: 1.21 · 1.2100 (rough estimate)
refractive index: 1.64 · 1.6400 (estimate)
storage temp.: -20 °C · Store at -20°C
solubility: 50 mg/mL · DMSO : 50 mg/mL (265.70 mM; Need ultrasonic)
form: Solid
color: Light yellow to yellow
Water Solubility: 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
EWG's Food Scores: 1 · 1
FDA UNII: 39020 BUT1D · 39020BUT1D
EPA Substance Registry System: 2 · 2-Methoxy-1,4-naphthoquinone (2348-82-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 8960000 · QL8960000
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Regulatory information

Regulatory Information · 2 items

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

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

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: QL8960000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications

Uses2-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).

General Description2-Methoxy-1,4-naphthoquinone is a potential candidate for Helicobacter pylori infection related disease therapy. It is isolated from the leaves of Impatiens glandulifera.

Suppliers48 total

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]

Additional notes

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.