Basic information
- CAS
594-68-3- Standard SMILES
O=C(O)C(I)(I)I- InChIKey
WWHZZMHPRRFPGP-UHFFFAOYSA-N- Molecular formula
- C2HI3O2
- Average molar mass
- 437.74 g/mol
- Monoisotopic mass
- 437.7111
Names & identifiers
- Preferred name
- Triiodoacetic acid
- IUPAC
- 2,2,2-triiodoacetic acid
- English name
- Triiodoacetic acid
- Molecular formula
- C2HI3O2
- Molecular weight
- 437.74
Names & synonyms
Triiodoacetic acid2,2,2-triiodoacetic acid4A8GUP5482EINECS 209-850-9DTXSID20208127ACETIC ACID, 2,2,2-TRIIODO-RefChem:191681DTXCID40130618209-850-9594-68-3Triiodoacetic Acid (90%)Triiodoacetic Acid (90per cent)
Show more names
2,2,2-triiodoethanoic acid
Triiododoacetic AcidC2HI3O2Acetic acid,2,2,2-triiodo-Acetic acid 90%SCHEMBL360313UNII-4A8GUP5482SCHEMBL1882895WWHZZMHPRRFPGP-UHFFFAOYSA-N
Database identifiers
- CAS
594-68-3- PubChem CID
- 68988
- DTXSID
DTXSID20208127- UNII
- 4A8GUP5482
- EC Number
- 209-850-9
- Nikkaji
- J136.518E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83.4
Physicochemical properties
- Melting point
- 135 · 135-140°C
- Boiling point
- 347.7 · 347.7±42.0 °C(Predicted)
- Density
- 3.884 · 3.884±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.29 · 1.29±0.41(Predicted)
- color
- Yellow to Very Dark Brown
- FDA UNII
- 4 A8GUP5482 · 4A8GUP5482
Chemistry & industry
Applications
UsesDisinfection byproducts (DBPs) produced in the chlorination or chloramination of drinking water.
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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