Basic information
- CAS
5421-53-4- Standard SMILES
CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.Cl- InChIKey
JHPUIEDIXRYPTP-UHFFFAOYSA-N- Molecular formula
- C20H27ClI+
- Average molar mass
- 429.8 g/mol
- Monoisotopic mass
- 429.0846
Names & identifiers
- Preferred name
- Bis(4-tert-butylphenyl)iodanium;hydrochloride
- IUPAC
- bis(4-tert-butylphenyl)iodanium;hydrochloride
- English name
- Bis(4-tert-butylphenyl)iodonium chloride
- Molecular formula
- C20H26ClI
- Molecular weight
- 428.78
Names & synonyms
NSC8994NSC-8994NSC 8994DTBPI-ClInitiator Intermediate IDi(4-tert-butylphenyl)iodonium chlorideBis(tert-butylphenyl) Iodonium ChlorideBis(4-tert-butylphenyl)iodonium chloride4,4'-Di-tert-butyldiphenyliodonium chloride4,4'-Di-tert-(t-butylphenyl) Iodonium ChlorideIodonium, bis[4-(1,1-dimethylethyl)phenyl]-, chlorideIodonium, bis[4-(1,1-dimethylethyl)pheny]-,chloride (PF)
Database identifiers
- CAS
5421-53-4- PubChem CID
- 54602012
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 272
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture and light
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C20H26I.ClH/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;/h7-14H,1-6H3;1H/q+1;/p-1
- InChIKey
- JHPUIEDIXRYPTP-UHFFFAOYSA-M
- SMILES
- [I+](C1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C(C)(C)C)C=C1.[Cl-]
- CAS DataBase Reference
- 5421 · 5421-53-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers84 total
湖北鑫立恒化工有限公司13164644252 · [email protected]
北京广文精细化工研究所010-69293631 13522011782 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Shanghai Medfine Bio-pharmaceutical Co., Ltd+86-86-13013810076 +86-13013810076 · [email protected]
上海大然化学有限公司021-64478606 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北海克斯生化有限公司18696113233 · [email protected]
江苏能越新材料科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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