Iodobenzene diacetate

HCID 76724
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Basic information

CAS
3240-34-4
Standard SMILES
CC(=O)OI(OC(C)=O)c1ccccc1
InChIKey
ZBIKORITPGTTGI-UHFFFAOYSA-N
Molecular formula
C10H11IO4
Average molar mass
322.1 g/mol
Monoisotopic mass
321.97020683

Overview

glycol-cleaving reagent used with amino alcohols in ring opening & Mannich base reactions; structure

Names & identifiers

Preferred name
Iodobenzene diacetate
IUPAC
[acetyloxy(phenyl)-λ3-iodanyl] acetate
English name
(Diacetoxyiodo)benzene
Molecular formula
C10H11IO4
Molecular weight
322.1

Names & synonyms

(Diacetoxyiodo)benzeneIodobenzene diacetate3240-34-4Iodosobenzene diacetatePhenyliodo diacetatePhenyliodoso acetatePIDAPhenyliodine diacetatePhenyliodoso diacetatePhenyliodosyl diacetateBis(acetato)phenyliodinePhenyliodosodiacetate
Show more names
PhI(OAc)2BAIB[Bis(acetoxy)iodo]benzeneDAIBphenyl-l3-iodanediyl diacetate
Phenyliodine(III) diacetate((diacetoxy)iodo)benzeneIodine, bis(acetato-kappaO)phenyl-NSC-23801AY2C9T5FRZNSC-226375DTXSID0062929DAIB cpd

Database identifiers

CAS
3240-34-4
PubChem CID
76724
DTXSID
DTXSID0062929
ChEMBL
CHEMBL3391738
UNII
AY2C9T5FRZ
EC Number
221-808-1
Nikkaji
J54.893F

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
Physical DescriptionWhite or pale yellow powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
161 · 161-163 °C (lit.)
Density
1.6865 · 1.6865 (estimate)
refractive index
1.444 · n/D 1.444
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
INSOLUBLE
form
Solution

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 64.4% (38 of 59) of all reports.

Warning

H302 (18.6%): 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 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationIodine, bis(acetato-.kappa.O)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (18.6%)

Safety data

F
4.10-8
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
DA3525000
ridadr
1479

Chemistry & industry

Uses & manufacturing

UsesGlycol-cleaving reagent used with amino alcohols in ring opening & Mannich base reactions. [ChemIDplus]
General Manufacturing InformationIodine, bis(acetato-.kappa.O)phenyl-: ACTIVE
Applications · 1 item

Uses(Diacetoxyiodo)benzene is a hypervalent iodine reagent that is used in conjunction with catalytic amount of sodium azide in acetonitrile, which enables oxidative decarboxylation of 2-aryl carboxylic acid into the corresponding aldehydes, ketones and nitriles.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

54 records
New reaction record

Compound notes

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