3,4-Dichlorobenzyloxyacetic acid
Basic information
- CAS
13911-20-1- Standard SMILES
O=C(O)COCc1ccc(Cl)c(Cl)c1- InChIKey
MWZJIYRBTKZIPI-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9850495
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,4-Dichlorobenzyloxyacetic acid
- IUPAC
- 2-[(3,4-dichlorophenyl)methoxy]acetic acid
- English name
- 3,4-dichlorobenzyloxyacetic acid
- Molecular formula
- C9H8Cl2O3
- Molecular weight
- 235.06
Names & synonyms
3,4-Dichlorobenzyloxyacetic acid82513-28-8((3,4-dichlorobenzyl)oxy)acetic acidRefChem:3992853,4-DCBAA2-[(3,4-dichlorophenyl)methoxy]acetic acid((3,4-Dichlorophenyl)methoxy)acetic acid(3,4-Dichlorophenyl)methoxyacetic acid[(3,4-DICHLOROPHENYL)METHOXY]ACETIC ACIDBRN 5008575EINECS 237-682-6Acetic acid, ((3,4-dichlorophenyl)methoxy)-
Show more names
Acetic acid, 2-[(3,4-dichlorophenyl)methoxy]-
CHEMBL267485SCHEMBL10540830DTXSID70930360MWZJIYRBTKZIPI-UHFFFAOYSA-NNS00051881
Database identifiers
- CAS
13911-20-1、82513-28-8- PubChem CID
- 84099
- DTXSID
DTXSID70930360- ChEMBL
CHEMBL267485- EC Number
- 237-682-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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