Basic information
- CAS
22717-94-8- Standard SMILES
Oc1ccc2ccc3ccc4ccccc4c3c2c1- InChIKey
WCFYKAAKPJSBFZ-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Overview
Benzo[c]phenanthren-2-ol is a hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 2 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene and a weak xenoestrogen. It has a role as a xenobiotic metabolite and a xenoestrogen.
Names & identifiers
- Preferred name
- Benzo[c]phenanthren-2-ol
- IUPAC
- benzo[c]phenanthren-2-ol
- English name
- 2-HYDROXYBENZO(C)PHENANTHRENE
- Molecular formula
- C18H12O
- Molecular weight
- 0
Names & synonyms
Benzo[c]phenanthren-2-ol22717-94-8Benzo(c)phenanthren-2-ol2-hydroxybenzo[c]phenanthrene2-benzo[c]phenanthrenolCHEBI:132443605CPJ969J2-HYDROXYBENZO(C)PHENANTHRENENSC 97676NSC-97676DTXSID501772512-benzo(c)phenanthrenol
Show more names
2-HYDROXYZO(C)PHENANTHRENE
RefChem:565191DTXCID4099742NSC97676UNII-605CPJ969J2-hydroxybenzo[c]-phenanthreneSCHEMBL14353926AKOS024341208NS00077046
Database identifiers
- CAS
22717-94-8- PubChem CID
- 97039
- DTXSID
DTXSID50177251- ChEBI
CHEBI:132443- UNII
- 605CPJ969J
- EC Number
- 621-744-8
- Nikkaji
- J1.558.908F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 605 CPJ969J · 605CPJ969J
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H411-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H335-H318-H411-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2-Hydroxybenzo[c]phenanthrene is a metabolite of monohydroxy polycyclic aromatic hydrocarbon (PAH) toxin.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
Additional notes
DefinitionChEBI: A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 2 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene and a weak xenoestrogen.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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