Basic information
- CAS
2433-56-9- Standard SMILES
Oc1cccc2c1ccc1ccccc12- InChIKey
GTBXZWADMKOZQJ-UHFFFAOYSA-N- Molecular formula
- C14H10O
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.07316494
Overview
1-phenanthrol is a phenanthrol. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 1-Hydroxyphenanthrene
- IUPAC
- phenanthren-1-ol
- English name
- 1-HYDROXY-PHENANTHRENE
- Molecular formula
- C14H10O
- Molecular weight
- 194.23
Names & synonyms
phenanthren-1-ol1-Hydroxyphenanthrene1-Phenanthrol1-Phenanthrenol2433-56-9Y1FTF7MUY7DTXSID90872758NSC-44471CHEBI:27528RefChem:907638DTXCID208203481-Hydroxy-phenanthrene
Show more names
phenanthrolNSC 4447130774-95-91-Phenanthrenol; 1-Hydroxyphenanthrene; NSC 44471;GTBXZWADMKOZQJ-UHFFFAOYSA-NUNII-Y1FTF7MUY7SCHEMBL60533SCHEMBL218498
Database identifiers
- CAS
2433-56-9、30774-95-9- PubChem CID
- 98490
- DTXSID
DTXSID90872758- ChEBI
CHEBI:27528- UNII
- Y1FTF7MUY7
- Nikkaji
- J130.703G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 144 · 144-147°C
- Boiling point
- 404.5 · 404.5±14.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 9.4 · 9.40±0.30(Predicted)
- color
- Pale Beige to Light Brown
- CAS DataBase Reference
- 2433 · 2433-56-9
- FDA UNII
- 1 FTF7MUY7 · Y1FTF7MUY7
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesA metabolite of Phenanthrene.
Suppliers26 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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