Basic information
- Standard SMILES
CC(C)N(C(C)C)P(Cl)N(C(C)C)C(C)C- InChIKey
FEHUTHGOLLQBNW-UHFFFAOYSA-N- Molecular formula
- C12H28ClN2P
- Average molar mass
- 266.79 g/mol
- Monoisotopic mass
- 266.1678636
Names & identifiers
- Preferred name
- Bis(diisopropylamino)chlorophosphine
- IUPAC
- N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
- English name
- BIS(DIISOPROPYLAMINO)CHLOROPHOSPHINE
- Molecular formula
- C12H28ClN2P
- Molecular weight
- 266.79
Names & synonyms
Show more names
Database identifiers
- CAS
56183-63-2- PubChem CID
- 2733425
- DTXSID
DTXSID00369907- EC Number
- 628-718-5
- Nikkaji
- J1.175.515A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 100 · 100-104 °C(lit.)
- Boiling point
- 291 ℃ · 291℃
- Flash point
- 130 ℃ · 130℃
- storage temp.
- Store under inert gas
- form
- Powder
- pka
- 4.5 · 4.50±0.70(Predicted)
- color
- white to off-white
- Sensitive
- air sensitive, moisture sensitive
- InChI
- InChI=1S/C12H28ClN2P/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8/h9-12H,1-8H3
- InChIKey
- FEHUTHGOLLQBNW-UHFFFAOYSA-N
- SMILES
- P(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)Cl
- CAS DataBase Reference
- 56183 · 56183-63-2(CAS DataBase Reference)
- UNSPSC Code
- 12352001 · 12352001
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 14 · 14-34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 1
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29310099 · 29310099
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 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
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 1
- hs_code
- 29310099
- risk_code
- 14-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
DescriptionBis(diisopropylamino)chlorophosphine is a white to off-white powder to crystalline organophosphorus compound, mainly used as an organic synthetic raw material or reaction reagent. It can be used in the synthesis of mixed phosphorothioate and methylenephosphine derivatives, etc. It is commonly used in chemical production and laboratory research.
UsesBis(diisopropylamino)chlorophosphine has been used in the synthesis of tert-butyl tetraisopropylphosphorodiamidite ligand for palladium-catalyzed Buchwald–Hartwig amination reaction.It is also can be used to synthesize:acyclic N-phosphonio imine catalyst for selective epoxidationsboryl-substituted methylenephosphonium derivatives
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
Linked notes
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