5-Hydroxy-2-methyl-1,4-naphthoquinone | CAS No. 481-42-5

5-Hydroxy-2-methyl-1,4-naphthoquinone

Basic Information

CAS Number

481-42-5

Molecular Formula

C11H8O3

Molecular Weight

188.18 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

76.0 to 79.0 deg-C

Boiling Point

383.927 ℃ at 760 mmHg

Flash Point

200.2°C

Solubility

Methanol; Chloroform

Refractive Index

1.6310 (estimate)

CC1=CC(=O)C2=C(C1=O)C=CC=C2O

InChI

InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChIKey

VCMMXZQDRFWYSE-UHFFFAOYSA-N

LogP

1.7175

Topological Polar Surface Area

54.37 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

317

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 (6.1) Class 8 (6.1)

Storage Conditions

2-8℃

Toxicity

LD50 i.p. in mice: ~0.015 g/kg (Debray)

Synonyms & References

English

  • plumbapin
  • Plumbagin
  • s4777
  • A827479
  • BRD-K36137799-001-02-4
  • CHEMBL295316
  • NSC 236613
  • PS-11338
  • DTXSID8075413
  • SCHEMBL34186
  • RTK1
  • P1139
  • 5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE
  • BDBM50012070
  • NSC 688284
  • NSC-688284
  • CCRIS 6671
  • W-202844
  • BRD-K36137799-001-03-2
  • NCGC00094567-06
  • EINECS 207-569-6
  • 4-08-00-02376 (Beilstein Handbook Reference)
  • Plumbagin [WHO-DD]
  • NS00031768
  • 481-42-5
  • 5-hydroxy-2-methylnaphthalene-1,4-dione
  • 5-Hydroxy-2-methyl-1,4-naphthoquinone
  • ST069355
  • MFCD00001682
  • 1, 5-hydroxy-2-methyl-
  • 5-Hydroxy-2-methyl-naphthalene-1,4-dione

MDL Number

MFCD00001682

Customs Code

2914690090

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