Basic information
- Standard SMILES
Oc1ccc2cn[nH]c2c1- InChIKey
NUYZVDBIVNOTSC-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801281
Overview
has neuroprotective activity; structure in first source
Names & identifiers
- Preferred name
- 6-hydroxy-1H-indazole
- IUPAC
- 1H-indazol-6-ol
- English name
- 6-Hydroxyindazole
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
Show more names
Database identifiers
- CAS
23244-88-4- PubChem CID
- 135483987
- DTXSID
DTXSID70901318- EC Number
- 245-519-5
- Nikkaji
- J41.018G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 217 to · 217.0 to 221.0 °C
- Boiling point
- 366.5 · 366.5±15.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.17 · 9.17±0.40(Predicted)
- color
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)
- InChIKey
- NUYZVDBIVNOTSC-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(O)=C2)C=N1
- CAS DataBase Reference
- 23244 · 23244-88-4
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- RTECS
- 8010000 · NK8010000
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- Toxicity
- 50 · mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04549,
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Safety data
- wgk
- 3
- rtecs
- NK8010000
- hs_code
- 2933998090
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04549,
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
Uses6-Hydroxyinazole is a light brown powder and an important pharmaceutical intermediate used to construct the core of active drug molecules. It has broad application prospects in the synthesis and screening of small molecule chemical drugs. 6-Hydroxyinazole has neuroprotective effects. Indazole and its derivatives possess various biological activities, such as anti-inflammatory, antitumor, antioxidant, hypoglycemic, anti-HIV, anti-tuberculosis, antiplatelet, and 5-HT3 receptor antagonism. In addition, indazole derivatives are widely used in herbicides and dyes. Indazole was originally defined as a "pyrazole-ringed benzene ring," belonging to the azole family. It contains only three elements: carbon, hydrogen, and oxygen, and is an aromatic heterocycle containing 10 electrons. Theoretically, depending on whether there are hydrogen atoms on the two nitrogen atoms, indazole exists in two tautomeric forms: 1H-indazole and 2H-indazole. When there are no substituents on the indazole, it mainly exists in the 1H-indazole form.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
Loading…