Basic information
- CAS
76-84-6- Standard SMILES
OC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LZTRCELOJRDYMQ-UHFFFAOYSA-N- Molecular formula
- C19H16O
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.12011513
Overview
Tritylalcohol is a benzenoid aromatic compound.
Names & identifiers
- Preferred name
- Triphenylcarbinol
- IUPAC
- triphenylmethanol
- English name
- Triphenylmethanol
- Molecular formula
- C19H16O
- Molecular weight
- 260.33
Names & synonyms
Show more names
Database identifiers
- CAS
76-84-6- PubChem CID
- 6457
- DTXSID
DTXSID0058803- ChEMBL
CHEMBL118166- ChEBI
CHEBI:228440- UNII
- U97Q0OU9KB
- EC Number
- 200-988-5
- Nikkaji
- J4.186F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Physical Description
Other Solid
Solid; [Merck Index] White to cream crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 160 · 160-163 °C (lit.)
- Boiling point
- 360 °C · 360 °C (lit.)
- Density
- 40 · d40 1.199
- refractive index
- 1.622 · 1.6220 (estimate)
- Flash point
- 360 · 360-380°C
- storage temp.
- 2 · 2-8°C
- solubility
- 0.1 g/mL, · dioxane: 0.1 g/mL, clear
- pka
- 12.73 · 12.73±0.29(Predicted)
- form
- Fine Crystalline Powder
- color
- White to light yellow
- Appearance
- White to Light yellow to Light orange powder to crystal
- Water Solubility
- INSOLUBLE
- Merck
- 14 · 14,9739
- BRN
- 1460837 · 1460837
- Stability
- Stable. Combustible. Incompatible with oxidizing agents, acids, acid chlorides, acid anhydrides.
- InChI
- 1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
- InChIKey
- LZTRCELOJRDYMQ-UHFFFAOYSA-N
- SMILES
- OC(c1ccccc1)(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 76 · 76-84-6(CAS DataBase Reference)
- FDA UNII
- 97 Q0OU9KB · U97Q0OU9KB
- NIST Chemistry Reference
- Benzenemethanol, «alpha»,«alpha»-diphenyl-(76-84-6)
- EPA Substance Registry System
- Benzenemethanol, .alpha.,.alpha.-diphenyl- (76-84-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38-36/37/38
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29062900 · 29062900
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
Warning
H315 (98.2%): 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 114 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, .alpha.,.alpha.-diphenyl-
Benzenemethanol, .alpha.,.alpha.-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.,.alpha.-diphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 14-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21505
Benzenemethanol, .alpha.,.alpha.-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062900
- risk_code
- 38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Petrochemical Manufacturing
Benzenemethanol, .alpha.,.alpha.-diphenyl-: ACTIVE
Applications
UsesTriphenylmethanol (Zidovudine EP Impurity D) is a triaryl methane derivative as antiproliferative agent.
UsesTriphenylmethanol is used as a reagent in the research laboratory. It acts as an intermediate in the production of the commercially useful triarylmethane dyes. It is used in the preparation of triphenylmethane. It is also used as an antiproliferative agent. Further, it is used in the preparation of two-electron reduction product of pyrylogen. In addition to this, it reacts with triphenylphosphine oxide to form a 1:1 molecular complex. It serves as a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes. Triphenylmethanol was used in the synthesis of of the two-electron reduction product of pyrylogen. It undergoes reduction to triphenylmethane by 9, 10-dihydro-10-methylacridine in the presence of perchloric acid.
General DescriptionTriphenylmethanol forms 1:1 molecular complex with triphenylphosphine oxide. It is a specific clathrate host for methanol and dimethyl sulphoxide and forms clathrate inclusion complexes. It undergoes reduction to triphenylmethane by 9, l0-dihydro-10-methylacridine in the presence of perchloric acid.
Preparation methods
PreparationTriphenylmethanol synthesis: Triphenylmethanol was prepared by the action of benzene with carbon tetrachloride in the presence of Aluminum chloride, followed by acidification and hydrolysis.Triphenylmethanol can also be prepared by the reaction of phenylmagnesium bromide with methyl benzoate (instead of benzophenone).Synthesis of Triphenylmethanol
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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