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Dicamba-olamine

HCID 62035
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
53404-28-7
Standard SMILES
COc1c(Cl)ccc(Cl)c1C(=O)O.NCCO
InChIKey
PYJWLFDSOCOIHD-UHFFFAOYSA-N
Molecular formula
C10H13Cl2NO4
Average molar mass
282.12 g/mol
Monoisotopic mass
281.0221633

Overview

Dicamba-olamine is an organoammonium salt that is the ethanolamine salt of dicamba. It has a role as a herbicide and an agrochemical. It contains a 3,6-dichloro-2-methoxybenzoate.

Names & identifiers

Preferred name
Dicamba-olamine
IUPAC
2-aminoethanol;3,6-dichloro-2-methoxybenzoic acid

Names & synonyms

Dicamba-olamineMonoethanolamine dicambaDicamba-olamine [ISO]53404-28-7EINECS 258-527-9dicamba monoethanolamine6685P9M24F3,6-Dichloro-o-anisic acid, compound with 2-aminoethanol (1:1)dicamba monoethanolamine saltEthanol, 2-amino-, 3,6-dichloro-2-methoxybenzoate (salt)RefChem:586597258-527-9
Show more names
3,6-dichloro-2-methoxybenzoic acid--2-aminoethan-1-ol (1/1)dicamba olamineUNII-6685P9M24Fdicamba olamine saltDicamba, monoethanolamine saltSCHEMBL1268427DTXSID3058406CHEBI:194160

Database identifiers

CAS
53404-28-7
PubChem CID
62035
DTXSID
DTXSID3058406
ChEBI
CHEBI:194160
UNII
6685P9M24F
EC Number
258-527-9

Properties

Computed structural properties

Topological polar surface area
92.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
208

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 · 4 items

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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

Hazard information

Regulatory InformationDicamba monoethanolamine salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories · 2 items

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

Related reactions

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Compound notes

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