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1953-54-4 molecular structure
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1H-indol-5-ol

ChemBase ID: 15934
Molecular Formular: C8H7NO
Molecular Mass: 133.14728
Monoisotopic Mass: 133.05276385
SMILES and InChIs

SMILES:
c1(O)cc2c(cc1)[nH]cc2
Canonical SMILES:
Oc1ccc2c(c1)cc[nH]2
InChI:
InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
InChIKey:
LMIQERWZRIFWNZ-UHFFFAOYSA-N

Cite this record

CBID:15934 http://www.chembase.cn/molecule-15934.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-indol-5-ol
IUPAC Traditional name
5-hydroxyindol
Synonyms
5-Hydroxy-indole
5-Hydroxyindole
1H-Indol-5-ol
5-Hydroxy-1H-indole
NSC 87503
5-Hydroxyindole
5-Hydroxyindole
5-Indolol
Indol-5-ol
Hydroxy-5-indole
1H-indol-5-ol
5-Hydroxy-1H-indole
5-羟基吲哚
5-羟基苯并吡咯
5-羟基苯并吡咯
5-羟基吲哚
CAS Number
1953-54-4
EC Number
217-782-6
MDL Number
MFCD00005677
Beilstein Number
112349
PubChem SID
24895561
160979241
PubChem CID
16054

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 1.7684425  Molar Refractivity 39.1254 cm3
Polarizability 16.175694 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 9.572356  H Acceptors
H Donor LogD (pH = 5.5) 1.7684059 
LogD (pH = 7.4) 1.76555 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Brown Solid expand Show data source
Melting Point
100-110°C expand Show data source
106-108 °C(lit.) expand Show data source
106-108°C expand Show data source
106-111°C expand Show data source
106-111°C expand Show data source
107-108°C expand Show data source
Hydrophobicity(logP)
1.465 expand Show data source
Storage Condition
2-8°C, Protect from light expand Show data source
Refrigerator expand Show data source
Storage Warning
IRRITANT, KEEP COLD expand Show data source
Irritant/Light Sensitive/Store under Argon/Keep Cold expand Show data source
RTECS
NM2430000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C8H7NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - H31859 external link
Packaging
1 g in glass bottle
Application

• Reactant for preparation of (oxoimidazolidinyl/oxopyrimidinyl)benzenesulfonates as antitumor agents and tubulin inhibitors1
• Reactant for preparation of anthranilic acids2
• Reactant for preparation of indole compounds as dopamine D2 receptor antagonists3
• Reactant for preparation of naphthalimide- or carbazole-containing human β-adrenoceptor ligands4
• Reactant for preparation of melanins as nature-inspired radioprotectors5
• Reactant for preparation of 5-vinyl-3-pyridinecarbonitriles as PKCθ inhibitors6
Toronto Research Chemicals - H943510 external link
5-Hydroxyindole is a hydroxylated indole used as a building block in the preparation of various pharmaceutical compounds such as indole based neurochemicals. 5-Hydroxyindole is a metabolite of Tryptophan (T894800). 5-Hydroxyindole displayed weak inhibitor

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Yamazaki, Y. et al.: Zeitsch. Naturforsch. C: J. Biosci., 65, 49 (2010)
  • • Kay, W.W. et al.: Gen. Pharmacol., 8, 201 (2010)
  • • Ghebregzabher, M. et al.: J. Chrom. Biomed. Appl., 222, 191 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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