3-(1,1'-Biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthol
Basic information
- CAS
56181-66-9- Standard SMILES
OC1CC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21- InChIKey
YZWIKXHPIWMMIG-UHFFFAOYSA-N- Molecular formula
- C22H20O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.15141526
Names & identifiers
- Preferred name
- 3-(1,1'-Biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthol
- IUPAC
- 3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
- English name
- 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
- Molecular formula
- C22H20O
- Molecular weight
- 300.39
Names & synonyms
3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphtholEINECS 260-034-93-(1,1'-Biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphtholRefChem:489122260-034-956181-66-93-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthol3-{[1,1'-biphenyl]-4-yl}-1,2,3,4-tetrahydronaphthalen-1-ol3-(4-Biphenyl-4-yl)-1,2,3,4-tetrahydro naphthanolDifenacoum Impurity 1
Show more names
2-methyl-1-nitro-2-propanol3-(4-Biphenyl-4-yl)-1,2,3,4-tetrahydronaphthanol1-Naphthalenol, 3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-
3-(4-phenylphenyl)tetralin-1-ol3-p-Biphenylyl-1-tetralinol; 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenolSCHEMBL8418900DTXSID40971568YZWIKXHPIWMMIG-UHFFFAOYSA-NMFCD04124082AKOS005075737NS00055053
Database identifiers
- CAS
56181-66-9- PubChem CID
- 92045
- DTXSID
DTXSID40971568- EC Number
- 260-034-9
- Nikkaji
- J296.598D
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
- 23
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 142 °C · >142°C (dec.)
- Boiling point
- 475.4 · 475.4±44.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 14.15 · 14.15±0.40(Predicted)
- form
- Solid
- color
- Off-White to Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H332-H315-H319-H312-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H332-H315-H319-H312-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthol is a useful synthetic intermediate in the synthesis of Difenacoum (D445350); a 4-hydroxycouramin derivative and second generation anticoagulant rodenticide used against rodent pests such as rats and mice.
Upstream & downstream products
Upstream raw materials
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