N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate

HCID 10996402

Notes Reactions

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Basic information

CAS: 118612-00-3
Standard SMILES: C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIKey: BRHZQNMGSKUUMN-UHFFFAOYSA-O
Molecular formula: C32H12BF20N
Average molar mass: 801.2 g/mol
Monoisotopic mass: 801.0743428

Names & identifiers

Preferred name: N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate
IUPAC: dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
English name: Dimethylanilinium tetrakis(pentafluorophenyl)borate
Molecular formula: C32H12BF20N
Molecular weight: 801.22

Names & synonyms

118612-00-3N,N-dimethylanilinium tetrakis(pentafluorophenyl)boratedimethylanilinium tetrakis(pentafluorophenyl)boraten,n-dimethylanilinium tetra(pentafluorophenyl)borateUNII-H8R86L92NDN,N-Dimethylanilinium tetrakis(pentafluorophenyl)borate(1-)H8R86L92NDDimethyl(phenyl)ammonium tetrakis(2,3,4,5,6-pentafluorophenyl)borateBenzenamine, N,N-dimethyl-, tetrakis(pentafluorophenyl)borate(1-)EC 422-050-6RefChem:161282422-050-6

Show more names

Dimethylanilinum tetrakis(pentafluorophenyl)DIMETHYLANILINIUM TETRA(PETAFLUOROPHENYL)BORATEDimethylanilinumtetrakis(pentafluorophenyl)boratN,N-DIMETHYLANILINIUM TERTRAKIS (PENTAFLUOROPHENYLDIMETHYLANILINUM TETRAKIS(PENTAFLUOROPHENYL) BORATEDimethylanilinium tetrakis-(pentafluorophenyl)-boronN,N-DimethylanilineTetrakis(pentafluorophenyl)borateN,N-Dimethylaniliniumtetra(pentafluorophenyl)borate,98%

N,N-dimethylbenzenaminium tetrakis(perfluorophenyl)borateMFCD12913898dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuidedimethylanilinium tetrakis (pentafluorophenyl)borateN,N-Dimethylanilinium (tetrapentafluorophenyl)borateN, N-dimethylanilinium tetrakis(pentafluorophenyl)borateN,N-dimethylbenzenaminiumtetrakis(perfluorophenyl)boratedimethylani

Database identifiers

CAS: 118612-00-3
PubChem CID: 10996402
DTXSID: DTXSID101026412
UNII: H8R86L92ND
EC Number: 422-050-6、695-340-5

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 21
Rotatable bonds: 5
Heavy atoms: 54
Formal charge: 0
Complexity: 880

Physicochemical properties

Melting point: 225 to · 225.0 to 229.0 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Powder, s On Exposure To Air
color: Off-white, colors blue on exposure to air
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
Stability: hygroscopic
InChIKey: BRHZQNMGSKUUMN-UHFFFAOYSA-O
SMILES: [B-](C1C(F)=C(C(F)=C(F)C=1F)F)(C1C(F)=C(C(F)=C(F)C=1F)F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(=C(F)C(F)=C1F)F.C1(N(C)C)=CC=CC=C1
EWG's Food Scores: 2 · 2-3
FDA UNII: 8 R86L92ND · H8R86L92ND
Symbol(GHS): 5 · GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H351
Precautionary statements: 201 · P201-P202-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310-P308+P313-P405-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22-41-40-38-22
Safety Statements: 36 · 36/37/39-26-22
RIDADR: 1759 · UN1759
TSCA: No
HazardClass: 8 · 8
HS Code: 29319090 · 29319090
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H315: Causes skin irritation [Warning Skin corrosion/irritation]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Danger

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12883

Hazard Classes and Categories · 4 items

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Carc. 2 (100%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Carcinogenicity - category 2；Acute toxicity - category 4；Skin irritation - category 2；Eye damage - category 1

Carc. 2；Acute Tox. 4 *；Skin Irrit. 2；Eye Dam. 1

Regulatory information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12883

Safety data

tsca: No
ridadr: UN1759
hs_code: 29319090
risk_code: 36/37/38-20/21/22-41-40-38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08
hazard_code: Xn
safety_code: 36/37/39-26-22
hazard_class: 8
Hazard statements: H302-H315-H318-H351
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Precautionary statements: P201-P202-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310-P308+P313-P405-P501

Chemistry & industry

Applications

DescriptionDimethylanilinium tetrakis(pentafluorophenyl)borate is an electronic chemical with the formula C32H12BF20N. It is a white crystalline powder. It has been extensively tested for use in commercial secondary batteries.

UsesN,N-Dimethylanilinium Tetrakis(pentafluorophenyl)borate 118612-00-3 (cas# 118612-00-3) is a catalyst used for α-olefin polymerization, ethylene-co-norbornene copolymerization, and in the addition of C-H bonds of pyridine derivatives.