2,4-Dichlorophenylacetic acid
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Basic information
- CAS
19719-28-9- Standard SMILES
O=C(O)Cc1ccc(Cl)cc1Cl- InChIKey
GXMWLJKTGBZMBH-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.97448479
Names & identifiers
- Preferred name
- 2,4-Dichlorophenylacetic acid
- IUPAC
- 2-(2,4-dichlorophenyl)acetic acid
- English name
- 2,4-Dichlorophenylacetic acid
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
2,4-Dichlorophenylacetic acid19719-28-92-(2,4-dichlorophenyl)acetic acidBenzeneacetic acid, 2,4-dichloro-DTXSID4041363UNII-15N730ND47EINECS 243-248-7NSC 54853NSC-5485315N730ND472,4-DICHLOROBENZENEACETIC ACIDDTXCID2021363
Show more names
DCAA2,4-DCPA2,4-dcaa acid2.4-DichlorophRARECHEM AL BO 0113TIMTEC-BB SBB003502LABOTEST-BB LT00454968Guanfacine Impurity 152,4-dcaa acid spike mix
EC 243-248-7DICHLOROPHENYLACETIC ACID, 2,4-ACETIC ACID, (2,4-DICHLOROPHENYL)-RefChem:82395243-248-7GXMWLJKTGBZMBH-UHFFFAOYSA-NInChI=1/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12(2,4-dichlorophenyl)acetic acid
Database identifiers
- CAS
19719-28-9- PubChem CID
- 88209
- DTXSID
DTXSID4041363- ChEMBL
CHEMBL3185822- UNII
- 15N730ND47
- EC Number
- 243-248-7
- Nikkaji
- J43.084F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 129 · 129-131 °C (lit.)
- Boiling point
- 294.45 °C · 294.45°C (rough estimate)
- Density
- 1.3806 · 1.3806 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 3.92 · 3.92±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to pale yellow-beige
- Water Solubility
- SOLUBLE IN HOT WATER
- BRN
- 1948767 · 1948767
- InChI
- 1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
- InChIKey
- GXMWLJKTGBZMBH-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1ccc(Cl)cc1Cl
- LogP
- -0.3 · -0.3-2.8 at 23℃ and pH2-7
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
H315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzeneacetic acid, 2,4-dichloro-
Status: Active Update: 11-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11714
Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38-67
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
Chemistry & industry
Applications
Uses2,4-Dichlorophenylacetic Acid is a useful research chemical.
Uses2,4-Dichlorophenylacetic acid has been used as internal standard in:determination of phenoxyalkanoic acid herbicides in blood by GC with electron-capture detectiondetermination of 2-methyl-4-chlorophenoxyacetic acid (herbicide) in soils by GC technique
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
74 records
Compound notes
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