1,10-Phenanthroline-4,7-diol
Basic information
- CAS
3922-40-5- Standard SMILES
O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12- InChIKey
SLIBCJURSADKPV-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.0585775
Names & identifiers
- Preferred name
- 1,10-Phenanthroline-4,7-diol
- IUPAC
- 1,10-dihydro-1,10-phenanthroline-4,7-dione
- English name
- 4,7-Dihydroxy-1,10-phenanthroline
- Molecular formula
- C12H8N2O2
- Molecular weight
- 212.2
Names & synonyms
1,10-Phenanthroline-4,7-diol4,7-Dihydroxy-1,10-phenanthrolineEINECS 223-493-6DTXSID0063234RefChem:71167DTXCID8039611223-493-64,7-Dihydroxy-1,10-phenanthroline hydrochlorideSLIBCJURSADKPV-UHFFFAOYSA-N3922-40-51,10-Phenanthroline-4,7(1H,10H)-dione87330-27-6
Show more names
4,7-diol4,7-DihydroxyTIMTEC-BB SBB0087504,7-Dihydroxyphenanthroline1,1-Phenanthroline-4,7-diol1,10-Phenanthrolin-4,7-diol4,7-hydroxy 1,10-phenanthroline4,7-DIHYDROXY-1,10-PHENTHROLINE
1,10-dihydro-1,10-phenanthroline-4,7-dioneMFCD000049751,4,7,10-tetrahydro-1,10-phenanthroline-4,7-dioneCHEMBL16234981,10-Phenanthroline-4,7-dione, 1,10-dihydro-pyridino[3,2-h]quinoline-4,7-diolOprea1_631021BIDD:GT0532
Database identifiers
- CAS
3922-40-5- PubChem CID
- 77524
- DTXSID
DTXSID0063234- ChEMBL
CHEMBL1623498- EC Number
- 223-493-6
- Nikkaji
- J1.971.156K、J2.474.582A、J217.762E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 300 °C · >300 °C (dec.)(lit.)
- Boiling point
- 515.8 · 515.8±45.0 °C(Predicted)
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 3.81 · 3.81±0.30(Predicted)
- form
- Powder
- color
- Yellow
- Water Solubility
- Insoluble in water.
- Sensitive
- Hygroscopic
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)
- InChIKey
- SLIBCJURSADKPV-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C3C=2N=CC=C3O)C(O)=CC=1
- EPA Substance Registry System
- 1 · 1,10-Phenanthroline-4,7-diol (3922-40-5)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline-4,7-diol: INACTIVE
Applications
Uses4,7-Dihydroxy-1,10-phenanthroline is used as a phenanthroline stain. Its iron(II) complex reacts rapidly with dissolved oxygen in aqueous solution, thereby it is utilized for the spectrophotometric determination of dissolved oxygen up to 20 ppm.
Upstream & downstream products
Upstream raw materials
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Compound notes
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