1H-indole-5,6-diol
C8H7NO2
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Identification
- CAS Number
- 3131-52-0
- EC Number
- 412-130-9
- UN Number
- 3077
- Index Number
- 604-063-00-0
- PubChem CID
- 114683
Physical-chemical properties
- Molecular Formula
- C8H7NO2
- Molar Mass
- 149.15 g/mol
- IUPAC Name
- 1H-indole-5,6-diol
Chemical Identifiers
- InChI
- InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
- InChI Key
- SGNZYJXNUURYCH-UHFFFAOYSA-N
Overview
1H-indole-5,6-diol (CAS 3131-52-0) is an indole derivative compound with hydroxyl functionalities at the 5 and 6 positions of the benzene ring. This specialized chemical compound belongs to the indole family, characterized by its bicyclic structure combining a benzene ring fused to a pyrrole ring. With the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol, 1H-indole-5,6-diol features two strategically positioned hydroxyl groups that significantly influence its chemical reactivity and biological properties. The compound is assigned EC number 412-130-9 and falls under ADR class 9 for transportation purposes. From a safety perspective, 1H-indole-5,6-diol requires careful handling due to its classification as Acute Tox. 4 and Eye Dam. 1, indicating potential acute toxicity and serious eye damage risks. The compound also presents environmental concerns with its Aquatic Chronic 2 classification, requiring appropriate disposal and containment measures. The GHS pictograms GHS07, GHS05, and GHS09 with the signal word "Danger" emphasize the importance of proper personal protective equipment and handling procedures. Industrial applications of 1H-indole-5,6-diol primarily center around pharmaceutical intermediate synthesis and organic chemistry research. Its unique hydroxyl positioning makes it valuable for developing bioactive compounds and medicinal chemistry applications. The compound also serves in specialty chemical manufacturing where indole derivatives are required. While structurally different from compounds like 2-fluoro-4-hydroxybenzonitrile, both share applications in pharmaceutical intermediate synthesis. OYSI maintains reliable supply chains for 1H-indole-5,6-diol, ensuring consistent availability for European customers requiring this specialized indole derivative for their technical applications.
Safety & Classification
Acute Tox. 4 *; Eye Dam. 1; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 5,6-Dihydroxyindol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1H-indole-5,6-diol?
1H-indole-5,6-diol is an organic compound with the molecular formula C8H7NO2 and CAS number 3131-52-0. It belongs to the indole family, featuring a bicyclic structure with two hydroxyl groups positioned at the 5 and 6 positions of the indole ring. With a molecular weight of 149.15 g/mol, this compound is classified as hazardous with acute toxicity, eye damage, and aquatic chronic toxicity properties.
What are the physicochemical properties of 1H-indole-5,6-diol?
1H-indole-5,6-diol is a solid organic compound at room temperature with a molecular weight of 149.15 g/mol. The presence of hydroxyl groups and the nitrogen atom in the indole ring system influences its polarity and potential hydrogen bonding capabilities. Due to its phenolic structure, it likely exhibits limited water solubility but may dissolve in polar organic solvents.
What is 1H-indole-5,6-diol used for?
1H-indole-5,6-diol is primarily used as an intermediate in pharmaceutical and chemical synthesis. Its indole structure makes it valuable for developing pharmaceutical compounds, particularly those targeting neurological pathways. It may also serve as a building block in the synthesis of more complex organic molecules and research applications in biochemical studies involving indole derivatives.
How to handle 1H-indole-5,6-diol safely?
1H-indole-5,6-diol requires careful handling due to its Acute Tox. 4 and Eye Dam. 1 classifications. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in a well-ventilated area or under a fume hood to avoid inhalation. Prevent skin and eye contact, and ensure proper training before handling this substance.
How to store 1H-indole-5,6-diol correctly?
1H-indole-5,6-diol should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled. Store away from incompatible materials and ensure appropriate containment to prevent environmental release. The storage area should be equipped with appropriate safety equipment and restricted to authorized personnel only.
What to do in case of contact with 1H-indole-5,6-diol?
In case of eye contact with 1H-indole-5,6-diol, immediately flush with plenty of water for at least 15 minutes and seek immediate medical attention due to its Eye Dam. 1 classification. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. If ingested, do not induce vomiting and seek medical advice immediately. Always consult safety data sheets for complete first aid procedures.
How to dispose of 1H-indole-5,6-diol properly?
1H-indole-5,6-diol must be disposed of according to local, national, and international waste regulations. Due to its hazardous classification and aquatic chronic toxicity, it requires specialized hazardous waste disposal through licensed waste management companies. Never dispose of it in regular waste streams or down drains. Consult local environmental authorities for specific disposal requirements and approved disposal facilities.
How to transport 1H-indole-5,6-diol?
1H-indole-5,6-diol is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transport must comply with international dangerous goods regulations including proper packaging, labeling, and documentation. Use UN-approved packaging and ensure proper marking with hazard labels. Transportation should be handled by qualified personnel familiar with dangerous goods regulations and emergency procedures.
Is 1H-indole-5,6-diol subject to specific regulations?
1H-indole-5,6-diol is subject to CLP regulation classification with GHS pictograms GHS07, GHS05, and GHS09, requiring appropriate labeling and safety data sheets. It falls under REACH regulation requirements for registration and chemical safety assessment. The compound is not currently listed as a SVHC (Substance of Very High Concern), but users must comply with occupational exposure limits and environmental protection measures.
Where to buy 1H-indole-5,6-diol in Europe?
1H-indole-5,6-diol is available through OYSI, a European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance including proper classification, labeling, and safety documentation. As a specialized chemical distributor, OYSI ensures quality products meeting European standards and provides technical support for industrial and research applications across European markets.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.