Basic information
- Standard SMILES
CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1- InChIKey
MXFYYFVVIIWKFE-UHFFFAOYSA-N- Molecular formula
- C30H43O2P
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.30006761
Names & identifiers
- Preferred name
- 2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
- IUPAC
- dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
- English name
- 2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
- Molecular formula
- C30H43O2P
- Molecular weight
- 466.64
Names & synonyms
Show more names
Database identifiers
- CAS
787618-22-8- PubChem CID
- 16217985
- DTXSID
DTXSID10584700- UNII
- X3474RY19E
- EC Number
- 616-653-5
- Nikkaji
- J2.226.608J
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Melting point
- 123 · 123-124°C
- Boiling point
- 551.7 · 551.7±40.0 °C(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Powder
- color
- white
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3
- InChIKey
- MXFYYFVVIIWKFE-UHFFFAOYSA-N
- SMILES
- P(C1=CC=CC=C1C1=C(OC(C)C)C=CC=C1OC(C)C)(C1CCCCC1)C1CCCCC1
- FDA UNII
- 3474 RY19E · X3474RY19E
- UNSPSC Code
- 12352112 · 12352112
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332-H413
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- TSCA
- No
- HS Code
- 29310099 · 29310099
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (90.6%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (90.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (86.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, 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 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H312-H332-H413
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesBulky phosphine ligand used in a palladium-catalyzed cross-coupling of aminoethyltrifluoroborates with electron-poor aryl bromides.
Usessuzuki reaction
Uses2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl is the ligand used for the palladium-catalyzed coupling of alkyl boronates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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