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2-Methoxy-1,4-naphthoquinone

2-Methoxy-1,4-naphthoquinone structure

CAS No:
2348-82-5
Formula:
C11H8O3
Chemical Name:
2-Methoxy-1,4-naphthoquinone
Synonyms:
1,4-Naphthalenedione,2-methoxy-;1,4-Naphthoquinone,2-methoxy-;2-Methoxy-1,4-naphthalenedione;2-Methoxy-1,4-naphthoquinone;2-Methoxy-p-naphthoquinone;2-Methoxynaphthoquinone;NSC 31530;Lawsone methyl ether;O-Methyllawsone;2-Methoxy-1,4-dihydronaphthalene-1,4-dione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1].

2-methoxy-1,4-naphthoquinone is 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. It has a role as a metabolite, an antimicrobial agent and a plant metabolite. It is an enol ether and a member of 1,4-naphthoquinones.

2-Methoxy-1,4-naphthoquinone Basic Attributes

Molecular Weight：

188.17900

Exact Mass：

188.18

UNII：

39020BUT1D

NSC Number：

31530

DSSTox ID：

DTXSID1062338

HScode：

2914690090

Characteristics

PSA：

43.37000

XLogP3：

1.59590

Density：

1.28g/cm3

Melting Point：

107 °C

Boiling Point：

339.8ºC at 760mmHg

Flash Point：

152.7ºC

Refractive Index：

1.589

Water Solubility：

31.23mg/L(temperature not stated)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

S26;S36

RTECS Number：

QL8960000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-methoxy-1,4-naphthoquinone

2-Methoxy-1,4-naphthoquinone Use and Manufacturing

Manufacturing Info：

1,4-Naphthalenedione, 2-methoxy-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:188.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:188.047344113
Monoisotopic Mass:188.047344113
Topological Polar Surface Area:43.4
Heavy Atom Count:14
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methoxy-1,4-naphthoquinone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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2-Methoxy-1,4-naphthoquinone

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