Basic information
- CAS
596-31-6- Standard SMILES
COC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
IRMNIXXVOOMKKP-UHFFFAOYSA-N- Molecular formula
- C20H18O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.13576519
Names & identifiers
- Preferred name
- Methyl trityl ether
- IUPAC
- [methoxy(diphenyl)methyl]benzene
- English name
- Methyl triphenylmethyl ether
- Molecular formula
- C20H18O
- Molecular weight
- 274.36
Names & synonyms
596-31-6Methyl trityl etherMethyl triphenylmethyl etherTrityl methyl etherEther, methyl tritylmethoxytriphenylmethaneTriphenylmethyl methyl etherIUO13CXB2QBenzene, 1,1',1''-(methoxymethylidyne)tris-NSC 64NSC-64TRIPHENYLMETHOXYMETHANE
Show more names
Triphenylcarbinol methyl etherFimasartan-9TIMTEC-BB SBB008190
DTXSID70208278ZIDOVUDINE IMPURITY K [EP IMPURITY]1,1,1-(METHOXYMETHANETRIYL)TRIBENZENEZIDOVUDINE IMPURITY K (EP IMPURITY)RefChem:818112DTXCID90130769InChI=1/C20H18O/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H(Methoxymethanetriyl)tribenzene
Database identifiers
- CAS
596-31-6- PubChem CID
- 136388
- DTXSID
DTXSID70208278- ChEMBL
CHEMBL272254- UNII
- IUO13CXB2Q
- EC Number
- 690-628-7
- Nikkaji
- J109.627C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 367.4 · 367.4±11.0 °C(Predicted)
- Density
- 1.073 · 1.073
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Light Yellow
- BRN
- 1914067 · 1914067
- InChI
- 1S/C20H18O/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
- InChIKey
- IRMNIXXVOOMKKP-UHFFFAOYSA-N
- SMILES
- COC(c1ccccc1)(c2ccccc2)c3ccccc3
- FDA UNII
- 13 CXB2Q · IUO13CXB2Q
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl Triphenylmethyl Ether is a trityl-cysteine analog as inhibitor of human mitotic kinesin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers66 total
Related reactions
2 records
Compound notes
Loading…