Tris(1,1-dimethylethyl)phosphine (HCID 83681)

Names & identifiers

Preferred name: Tris(1,1-dimethylethyl)phosphine
IUPAC: tritert-butylphosphane
English name: Tri-tert-butylphosphine
Molecular formula: C12H27P
Molecular weight: 202.32

Names & synonyms

Tri-tert-butylphosphine13716-12-6Tris(1,1-dimethylethyl)phosphineEINECS 237-266-4DTXSID80160090RefChem:900102DTXCID4082581237-266-4tri-t-Butylphosphinetritert-butylphosphanetri-tert-butylphosphanePhosphine, tris(1,1-dimethylethyl)-

Show more names

TTBPTri-tert-butyLButylphosphineri-tert-butylphosphineUncle Ding JilinTri-t-butylphosphosphin

tri-Tertbutylphosphinetri(tert-butyl)phosphineTRIS(TERT-BUTYL)PHOSPHINEPtBu3tBu3PMFCD00015006Tri-tert-butylphosphine,TTBPP(T-BU)3

Database identifiers

CAS: 13716-12-6
PubChem CID: 83681
DTXSID: DTXSID80160090
UNII: BH6Z6Z4K6W
EC Number: 237-266-4
Nikkaji: J278.010K

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 128

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 30 · 30-35 °C(lit.)
Boiling point: 102 · 102-103 °C13 mm Hg(lit.)
Density: 0.861 g/mL · 0.861 g/mL at 25 °C
Flash point: 1 °F · 1 °F
storage temp.: Flammables area
form: solid
Specific Gravity: 0.68 · 0.68
Water Solubility: insoluble
Sensitive: Air & Moisture Sensitive
Hydrolytic Sensitivity: 9 · 9: reacts extremely rapidly with atmospheric moisture - may be pyrophoric - glove box or sealed system required
BRN: 1738613 · 1738613
InChI: InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
InChIKey: BWHDROKFUHTORW-UHFFFAOYSA-N
SMILES: P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
CAS DataBase Reference: 13716 · 13716-12-6(CAS DataBase Reference)
NIST Chemistry Reference: Tri-tert-butylphosphine(13716-12-6)
UNSPSC Code: 12352128 · 12352128
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 250 · H250-H314
Precautionary statements: 231 · P231+P232-P260-P280-P303+P361+P353-P305+P351+P338-P370+P378
target organs: Respiratory system
Hazard Codes: F,C
Risk Statements: 17 · 17-34-67-65-63-48/20-11
Safety Statements: 26 · 26-45-62-36/37/39-25-43-27-16
RIDADR: 2846 · UN 2846 4.2/PG 1
WGK Germany: 3 · 3
F: 10 · 10-19-23
HazardClass: 4.2 · 4.2
PackingGroup: I
HS Code: 29319090 · 29319090
Storage Class: 4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
Hazard Classifications: 2 Eye · Carc. 2Eye Dam. 1Flam. Liq. 2Pyr. Liq. 1Skin Corr. 1BSTOT SE 3
Excepted Quantities: Forbidden

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H250 (98.2%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]

P210, P222, P231, P233, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesPyr. Liq. 1 (98.2%)

Safety data

F: 10-19-23
wgk: 3
ridadr: UN 2846 4.2/PG 1
hs_code: 29319090
risk_code: 17-34-67-65-63-48/20-11
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 26-45-62-36/37/39-25-43-27-16
hazard_class: 4.2
Storage Class: 4.2 - Pyrophoric and self-heating hazardous materials
packing_group: I
target organs: Respiratory system
Hazard statements: H250-H314
Excepted Quantities: Forbidden
Hazard Classifications: Carc. 2Eye Dam. 1Flam. Liq. 2Pyr. Liq. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P231+P232-P260-P280-P303+P361+P353-P305+P351+P338-P370+P378

Chemistry & industry

Applications · 2 items

UsesTri-tert-butylphosphine is used primarily in the preparation of mono- and bidentate phosphine ligands in metal complexes for catalytic chiral asymmetric hydrogenations and other asymmetric reactions as well as transition metal coupling reactions. This reagent is also used in the preparation of other phosphines in catalytic polymerization reactions.

UsesValuable ligand for several coupling reactions. This product is offered as the THF solution for more convenient handling.

Upstream & downstream products

Upstream raw materials

Downstream products

1-(4-Pyridyl)piperazine Benzenamine, 4-methoxy-N,N-bis(4-methoxyphenyl)-1-(3-Pyridinyl)piperazine N-(4-BroMophenyl)-N,N-bis(1,1'-biphenyl-4-yl)aMine 3,6-Diphenyl-9H-carbazole Methanesulfonato[di-t-butyl(n-butyl)phosphine](2'-amino-1,1'-biphenyl-2-yl)palladium(II) dichloromethane Tri-tert-butylphosphine tetrafluoroborate

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

2,436 records

New reaction record

HRID 106As catalyst750 AstraZeneca ELN dataset

HRID 108As catalyst750 AstraZeneca ELN dataset

HRID 120As catalyst750 AstraZeneca ELN dataset

HRID 203As catalyst750 AstraZeneca ELN dataset

HRID 221As catalyst750 AstraZeneca ELN dataset

HRID 269As catalyst750 AstraZeneca ELN dataset

HRID 270As catalyst750 AstraZeneca ELN dataset

HRID 344As catalyst750 AstraZeneca ELN dataset

Linked notes

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Basic information