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2-(Triphenylmethoxy)-1H-isoindole-1,3(2H)-dione

HCID 208293
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
31938-10-0
Standard SMILES
O=C1c2ccccc2C(=O)N1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
QJACGYUVHYUJHZ-UHFFFAOYSA-N
Molecular formula
C27H19NO3
Average molar mass
405.4 g/mol
Monoisotopic mass
405.13649347

Names & identifiers

Preferred name
2-(Triphenylmethoxy)-1H-isoindole-1,3(2H)-dione
IUPAC
2-trityloxyisoindole-1,3-dione
English name
2-trityloxyisoindole-1,3-dione
Molecular formula
C27H19NO3
Molecular weight
405.44

Names & synonyms

Phthalimide, N-trityloxy-31938-10-0DTXSID101857762-(Triphenylmethoxy)-1H-isoindole-1,3(2H)-dioneRefChem:1062079DTXCID501082672-trityloxyisoindole-1,3-dione2-(Trityloxy)isoindoline-1,3-dione2-(triphenylmethoxy)-2,3-dihydro-1H-isoindole-1,3-dioneN-(Triphenylmethoxy)phthalimideBRN 1554584Phthalimide, N-triphenylmethoxy-
Show more names
1H-Isoindole-1,3(2H)-dione, 2-(triphenylmethoxy)-
N-(Trityloxy)phthalimide2-(trityloxy)-1h-isoindole-1,3(2h)-dione5-21-11-00103 (Beilstein Handbook Reference)SCHEMBL2041972AKOS002684749

Database identifiers

CAS
31938-10-0
PubChem CID
208293
DTXSID
DTXSID10185776
EC Number
152-840-3
Nikkaji
J50.526I

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Formal charge
0
Complexity
573

Physicochemical properties

Melting point
170 · 170-171 °C
Boiling point
573.4 · 573.4±60.0 °C(Predicted)
Density
1.32 · 1.32±0.1 g/cm3(Predicted)

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 · 3 items

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

Chemistry & industry

Suppliers4 total

常州市华阳科技有限公司+8615250961469 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]

Related reactions

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Compound notes

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