Basic information
- CAS
978-86-9- Standard SMILES
Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
NIPKXTKKYSKEON-UHFFFAOYSA-N- Molecular formula
- C25H20O
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15141526
Names & identifiers
- Preferred name
- 4-Tritylphenol
- IUPAC
- 4-tritylphenol
- English name
- 4-TRITYLPHENOL
- Molecular formula
- C25H20O
- Molecular weight
- 336.43
Names & synonyms
4-Tritylphenol978-86-94-(Triphenylmethyl)phenolPhenol, 4-(triphenylmethyl)-EINECS 213-557-1AI3-61705DTXSID8075172NSC 39742NSC 56593RefChem:527086DTXCID9049037213-557-1
Show more names
TRITYLPHENOL4-Tritylphenol,98%4-TRITYLPHENOL 98%TIMTEC-BB SBB007838tribenzylbenzenephenolP-(TRIPHENYLMETHYL)-PHENOL
4-Triphenylmethylphenolp-TriphenylmethylphenolC25H20OMFCD000023644-HydroxytetraphenylmethaneSTK374501p-Tritylphenolp-Cresol, .alpha.,.alpha.,.alpha.-triphenyl-
Database identifiers
- CAS
978-86-9- PubChem CID
- 70422
- DTXSID
DTXSID8075172- ChEMBL
CHEMBL1795581- EC Number
- 213-557-1
- Nikkaji
- J236.706H
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
LogP6.25
Physicochemical properties
- Melting point
- 283 · 283-286 °C(lit.)
- Boiling point
- 432.9 °C · 432.9°C (rough estimate)
- Density
- 1.0417 · 1.0417 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 10.21 · 10.21±0.10(Predicted)
- color
- White to Light yellow to Light red
- BRN
- 2290531 · 2290531
- InChI
- 1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H
- InChIKey
- NIPKXTKKYSKEON-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4
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
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 44 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2907.19.8000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
Applications
Uses4-Tritylphenol was used in the synthesis of 5-arylethynyl-2′-deoxyuridines and propargyl ethers. It may be used in the synthesis of pyridyl rotaxane.
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
2 records
Compound notes
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