Basic information
- CAS
41175-50-2- Standard SMILES
Oc1ccc2c3c1CCCN3CCC2- InChIKey
FOFUWJNBAQJABO-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 8-Hydroxyjulolidine
- IUPAC
- 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
- English name
- 8-Hydroxyjulolidine
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
Show more names
Database identifiers
- CAS
41175-50-2- PubChem CID
- 170474
- DTXSID
DTXSID0068286- UNII
- SDF5635X33
- EC Number
- 255-247-9
- Nikkaji
- J236.729G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 132 · 132-134 °C(lit.)
- Boiling point
- 374.4 · 374.4±41.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11.25 · 11.25±0.20(Predicted)
- form
- Solid
- color
- White to Pink
- Water Solubility
- Soluble in water (partly), ethanol, chloroform, methanol, and acetone.
- BRN
- 1530423 · 1530423
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2
- InChIKey
- FOFUWJNBAQJABO-UHFFFAOYSA-N
- SMILES
- C12=CC=C(O)C3=C1N(CCC3)CCC2
- CAS DataBase Reference
- 41175 · 41175-50-2(CAS DataBase Reference)
- FDA UNII
- 5635 X33 · SDF5635X33
- EPA Substance Registry System
- 1 H,5H-Benzo[ij]quinolizin-8-ol, · 1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro- (41175-50-2)
- UNSPSC Code
- 12352104 · 12352104
- 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
- 22 · 22-24/25-37/39-26-36
- WGK Germany
- 3 · 3
- F
- 10 · 10
- TSCA
- TSCA listed
- HS Code
- 2933 · 2933 99 80
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933 99 80
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26-36
- 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
Applications
Uses8-Hydroxyjulolidine is used as an intermediate in the preparation of aminocoumarins via microwave-accelerated Pechmann reaction. It is also employed as a starting material for coumarin C-ribosides.
Uses8-Hydroxyjulolidine has been used in the electrochemical switching fluorescence study.
General DescriptionThe carboxaldehyde derivative of 8-hydroxyjulolidine is useful as a chromophore in fluorescence chemosensor and chemosensors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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