Basic information
- CAS
5742-19-8- Standard SMILES
O=C([O-])COc1ccc(Cl)cc1Cl.OCC[NH2+]CCO- InChIKey
FDMDZIBZKGXZPT-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2NO5
- Average molar mass
- 326.17 g/mol
- Monoisotopic mass
- 325.048378
Overview
See also: 2,4-D-diolamine (preferred).
Names & identifiers
- Preferred name
- Bis(2-hydroxyethyl)azanium;2-(2,4-dichlorophenoxy)acetate
- IUPAC
- bis(2-hydroxyethyl)azanium;2-(2,4-dichlorophenoxy)acetate
- English name
- 2,4-Dichlorophenoxyacetic acid diethanolamine salt
- Molecular formula
- C12H17Cl2NO5
- Molecular weight
- 326.17
Names & synonyms
NS000829732,4-d diethanolamine saltDiethanolamine (2,4-dichlorophenoxy)acetate2,4-dichlorophenoxyacetic acid diethanolamine2,4-Dichlorophenoxyacetic acid diethanolamine saltbis(2-hydroxyethyl)ammonium 2,4-dichlorophenoxyacetate2,4-Dichlorophenoxyacetic acid·bis(2-hydroxyethyl)amineAcetic acid, (2,4-dichlorophenoxy)-, compd. with 2,2-iminobisethanol (1:1)
Database identifiers
- CAS
5742-19-8- PubChem CID
- 516983
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- FDA UNII
- 146 FSC2RD0 · 146FSC2RD0
- EPA Substance Registry System
- 2 · 2,4-D diethanolamine salt (5742-19-8)
- RIDADR
- 3345 · 3345
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3345
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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