Basic information
- CAS
6163-63-9- Standard SMILES
Cc1ccccc1P(=O)(c1ccccc1C)c1ccccc1C- InChIKey
VGSVITFVAXDZAL-UHFFFAOYSA-N- Molecular formula
- C21H21OP
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.13300229
Names & identifiers
- Preferred name
- Tri-o-tolylphosphine oxide
- IUPAC
- 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene
- English name
- Phosphine oxide, tris (2-methylphenyl)-
- Molecular formula
- C21H21OP
- Molecular weight
- 320.36
Names & synonyms
Tri-O-tolylphosphine oxide6163-63-99RMV7W7JMWNSC-299861DTXSID30316121RefChem:1100304DTXCID702672441-bis(2-methylphenyl)phosphoryl-2-methylbenzenePalbociclib Impurity 51Tri-o-tolyl-Phosphine OxideTris(o-tolyl)phosphine oxidePhosphine oxide, tri-o-tolyl-
Show more names
Palbociclib-003Eletriptan Impurity 14Palbociclib Impurity 70Phosphine oxide, tris (2-methylphenyl)-LAURETH-4Phosphine oxide, tris (2-methylphenyl)-Palbociclib impurity 5/Tri-o-tolyl-Phosphine Oxide(2Z,4Z)-hexa-2,4-dien-3-yldi-o-tolylphosphine oxide
tris(2-methylphenyl)phosphine oxidePhosphine oxide, tris(2-methylphenyl)-NSC299861Tris(2-tolyl)phosphine oxideSCHEMBL518384Tri(o-methylphenyl)phosphine monoxideAKOS0243255451-(bis-o-tolylphosphoryl)-2-methyl-benzene
Database identifiers
- CAS
6163-63-9- PubChem CID
- 326944
- DTXSID
DTXSID30316121- UNII
- 9RMV7W7JMW
- Nikkaji
- J496.520E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesTri-o-tolyl-Phosphine Oxide (Eletriptan Impurity 14) is an impurity of Eletriptan, a selective serotonin 5-HT1B and 5-HT1D receptor agonist and used to treat migraines.
Upstream & downstream products
Downstream products
Suppliers26 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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