Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

HCID 16216933CAS 194999-85-4

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Basic information

Standard SMILES: CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: DJBAOXYQCAKLPH-UHFFFAOYSA-M
Molecular formula: C24H26F9IO3S
Average molar mass: 692.4 g/mol
Monoisotopic mass: 692.05036767

Overview

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Names & identifiers

Preferred name: Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate
IUPAC: bis(4-tert-butylphenyl)iodanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
English name: Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate
Molecular formula: C20H26I.C4F9O3S
Molecular weight: 692.414

Names & synonyms

Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonateRefChem:568931622-652-0194999-85-4BIS(4-TERT-BUTYLPHENL)IODONIUM PERFLUOR&bis(4-tert-butylphenyl)iodanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateBis(4-(tert-butyl)phenyl)iodonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateBis(4-tert-butylphenyl)iodanium nonafluorobutane-1-sulfonateBis(4-tert-butylphenyl)iodonium Nonafluoro-1-butanesulfonateSCHEMBL114859C24H26F9IO3SDTXSID10584184

Show more names

BBI 109DTBPIO-nFDTBPI-PFBSphotoacid generator IBis(4-t-butylphenyl)iodonium nonaflateBIS(4-T-BUTYLPHENYL)IODONIUM PERFLUORO-1Bis(4-tert-butylphenyl)iodonium nonaflateDi(4-tert-butylphenyl)iodonium perfluorobutanesulfonateBis(4-tert-butylphenyl)iodonium perfluorobutanesulfonate

MFCD02683473AS-86122B6071NS00018838G71292bis(4-tert-butylphenyl)iodanium;1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonateBis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate, electronic grade, >=99%BIS(4-TERT-BUTYLPHENL)IODONIUM PERFLUOR&;BIS(4-T-BUTYLPHENYL)IODONIUM PERFLUORO-1;Bis[4-(1,1-dimethylethyl)phenyl]iodonium salt with 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid (1:1);BBI 109;Bis(4-t-butylphenyl)iodonium nonaflate;Bis(4-tert-butylph

Database identifiers

CAS: 194999-85-4
PubChem CID: 16216933
DTXSID: DTXSID10584184
EC Number: 622-652-0

Properties

Computed structural properties

Topological polar surface area: 65.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 6
Heavy atoms: 38
Formal charge: 0
Complexity: 646

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physicochemical properties

Melting point: 175 · 175-177 °C (lit.)
solubility: 40 % · PGMEA: ~40%
InChI: 1S/C20H26I.C4HF9O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h7-14H,1-6H3;(H,14,15,16)/q+1;/p-1
InChIKey: DJBAOXYQCAKLPH-UHFFFAOYSA-M
SMILES: C(C(F)(F)C(F)(F)F)(F)(F)C(F)(F)S([O-])(=O)=O.C1(C(C)(C)C)=CC=C([I+]C2=CC=C(C(C)(C)C)C=C2)C=C1
Substances of Very High Concern (SVHC) Candidate List: bis(4-t-butylphenyl)iodonium perfluorobutanesulfonate (194999-85-4)
EPA Substance Registry System: Bis(4-tert-butylphenyl)iodanium nonafluorobutane-1-sulfonate (194999-85-4)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Applications

UsesCationic photoinitiator. Photoacid generator.

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

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