iodonium, (2-carboxyphenyl)phenyl-, inner salt
Basic information
- CAS
1488-42-2- Standard SMILES
O=C([O-])c1ccccc1[I+]c1ccccc1- InChIKey
LUGVQQXOGHCZNN-UHFFFAOYSA-N- Molecular formula
- C13H9IO2
- Average molar mass
- 324.11 g/mol
- Monoisotopic mass
- 323.96473
Names & identifiers
- Preferred name
- iodonium, (2-carboxyphenyl)phenyl-, inner salt
- IUPAC
- 2-phenyliodoniobenzoate
- English name
- Diphenyliodonium-2-carboxylate monohydrate, 98+%
- Molecular formula
- C13H9IO2
- Molecular weight
- 324.11383
Names & synonyms
1488-42-2Iodonium, (2-carboxyphenyl)phenyl-, inner saltNSC 86229AI3-62156EINECS 216-070-2DTXSID2061725Iodonium, (2-carboxyphenyl)phenyl-, hydroxide, inner saltIodonium, (o-carboxyphenyl)phenyl-, hydroxide, inner saltRefChem:148546DTXCID30348262-(phenyliodonio)benzoateDiphenyliodonium-2-carboxylate
Show more names
benzoate hydrate2-(Phenyliodonio)2-(Phenyliodoniumyl)benzoate2-(Phenyliodonio)benzoate hydrateDiphenyliodonium-2-Carboxylate 98%
2-phenyliodoniobenzoate(2-Carboxylatophenyl)phenyliodoniumDIPHENYL IODONIUM-2-CARBOXYLATEMFCD00032129109545-72-4diphenyliodoniumcarboxylatemonohydrateDIPHENYLIODONIUM-2-CARBOXYLATE MONOHYDRATE, 98+%iodonium,(2-carboxyphenyl)phenyl-,hydroxide,innersalt
Database identifiers
- CAS
1488-42-2- PubChem CID
- 73883
- DTXSID
DTXSID2061725- EC Number
- 216-070-2
- Nikkaji
- J248.695D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 226 °C · 226°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
- InChIKey
- LUGVQQXOGHCZNN-UHFFFAOYSA-N
- SMILES
- [I+](C1=CC=CC=C1)C1=CC=CC=C1C([O-])=O
- EPA Substance Registry System
- Iodonium, (2-carboxyphenyl)phenyl-, inner salt (1488-42-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIodonium, (2-carboxyphenyl)phenyl-, inner salt: ACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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