Basic information
- CAS
21771-80-2- Standard SMILES
O=C(O)C(c1ccc(I)cc1)c1ccc(I)cc1- InChIKey
JJGVKAUMXWKKSI-UHFFFAOYSA-N- Molecular formula
- C14H10I2O2
- Average molar mass
- 464.04 g/mol
- Monoisotopic mass
- 463.87702
Names & identifiers
- Preferred name
- Acetic acid, bis(p-iodophenyl)-
- IUPAC
- 2,2-bis(4-iodophenyl)acetic acid
- English name
- Benzeneacetic acid, 4-iodo-α-(4-iodophenyl)-
- Molecular formula
- C14H10I2O2
- Molecular weight
- 464.04
Names & synonyms
ACETIC ACID, BIS(p-IODOPHENYL)-BRN 211978521771-80-2alpha,alpha-Bis(p-iodophenyl)acetic acidDTXSID80176176Benzeneacetic acid, 4-iodo-alpha-(4-iodophenyl)-3-09-00-03313 (Beilstein Handbook Reference)RefChem:316559DTXCID2098667bis(4-iodophenyl)acetic acid2,2-bis(4-iodophenyl)acetic acid2,2-Bis(4-iodophenyl)acetic acid, 95
Show more names
Benzeneacetic acid, 4-iodo-α-(4-iodophenyl)-Benzeneacetic acid, 4-iodo-α-(4-iodophenyl)- ISO 9001：2015 REACH
Database identifiers
- CAS
21771-80-2- PubChem CID
- 30801
- DTXSID
DTXSID80176176- Nikkaji
- J79.191A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 192.5 · 192.5-195.5 °C
- Boiling point
- 469.9 · 469.9±45.0 °C(Predicted)
- Density
- 2.063 · 2.063±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.10(Predicted)
Chemistry & industry
Suppliers5 total
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
武汉英诺川生物科技有限公司18502785028 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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