1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthraquinone | CAS No. 481-72-1

1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthraquinone

Basic Information

CAS Number

481-72-1

Molecular Formula

C15H10O5

Molecular Weight

270.24 g/mol

AD

Basic Physical Properties

Physical State

Yellow powder

Melting Point

220.0 to 224.0 deg-C

Boiling Point

373.35°C (rough estimate)

Flash Point

311.9 oC

Solubility

45.8 mg/L @ 25 °C (est)

Refractive Index

1.5000 (estimate)

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO

InChI

InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

InChIKey

YDQWDHRMZQUTBA-UHFFFAOYSA-N

LogP

1.3654999999999997

Topological Polar Surface Area

94.83000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

421

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • NSC 38628
  • DIHYDROXY-3-HYDROXYMETHYLANTHRAQUINONE, 1,8-
  • CCG-208456
  • 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin)
  • BCP28272
  • NCGC00163510-02
  • 1,8-Dihydroxy-3-hydroxymethylanthraquinone
  • Aloe-emodin, analytical standard
  • Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-
  • 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene
  • InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H
  • 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione
  • MFCD00017373
  • Aloe-emodine
  • Q-100526
  • SCHEMBL309756
  • 4-08-00-03578 (Beilstein Handbook Reference)
  • Aloe-Emodine,(S)
  • NCGC00163510-01
  • BDBM50085551
  • Aloe-emodin
  • HY-N0189
  • Q3533249
  • cid_10207
  • EX-A6788
  • NCI60_003685
  • Tox21_302400
  • CHEMBL40275
  • NSC38628
  • 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-
  • CAS-481-72-1

MDL Number

MFCD00017373

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