Basic information
- CAS
2432-11-3- Standard SMILES
Oc1c(-c2ccccc2)cccc1-c1ccccc1- InChIKey
ATGFTMUSEPZNJD-UHFFFAOYSA-N- Molecular formula
- C18H14O
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.10446507
Names & identifiers
- Preferred name
- 2,6-Diphenylphenol
- IUPAC
- 2,6-diphenylphenol
- English name
- 2,6-Diphenylphenol
- Molecular formula
- C18H14O
- Molecular weight
- 246.3
Names & synonyms
Show more names
Database identifiers
- CAS
2432-11-3- PubChem CID
- 75512
- DTXSID
DTXSID30947151- UNII
- LA93W35M96
- EC Number
- 219-401-9
- Nikkaji
- J102.860J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 101 · 101-103 °C (lit.)
- Boiling point
- 349.31 °C · 349.31°C (rough estimate)
- Density
- 1.0572 · 1.0572 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Crystals or Powder
- pka
- 10.02 · 10.02±0.10(Predicted)
- color
- White to off-white
- BRN
- 2051224 · 2051224
- InChI
- InChI=1S/C18H14O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13,19H
- InChIKey
- ATGFTMUSEPZNJD-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC(C3=CC=CC=C3)=C2O)=CC=CC=C1
- CAS DataBase Reference
- 2432 · 2432-11-3(CAS DataBase Reference)
- FDA UNII
- 93 W35M96 · LA93W35M96
- NIST Chemistry Reference
- 2 · 2,6-Diphenyl phenol(2432-11-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-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
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29071990 · 29071990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (29.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 152 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29071990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,6-Diphenylphenol has been used:as ligand during the synthesis of reduced coordination (less than 6), unchelated manganese oxygen cluster systemsin the preparation of derivatives of pyrazine-2,3-dicarbonitrile, precursor required for the synthesis of octaazaphthalocyanine (AzaPc) derivatives
General Description2,6-Diphenylphenol reacts with with (n)BuLi, NaH, KH, or Rb or Cs metal in benzene to yield the solvent-free complexes [M(OAr)]x.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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