2,4-Dichlorophenylacetic acid (HCID 88209)

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 properties

XLogP: 2.9
Topological polar surface area: 37.3 Å²
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
CAS DataBase Reference: 19719 · 19719-28-9(CAS DataBase Reference)
FDA UNII: 15 N730ND47 · 15N730ND47
NIST Chemistry Reference: 2 · 2,4-Dichlorophenylacetic acid(19719-28-9)
EPA Substance Registry System: 2 · 2,4-Dichlorophenylacetic acid (19719-28-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-67
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HS Code: 29163990 · 29163990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 2 items

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: Inactive
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

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

Benzene, 2,4-dichloro-1-(2,2,2-trichloroethyl)-2,4-Dichlorophenylacetonitrile carbon monoxide 2,4-Dichlorobenzyl chloride Tetrabutylammonium iodide tert-Butanol Sodium hydroxide

Downstream products

2,4-Dichlorobenzaldehyde 2,4-Dichlorophenylacetonitrile Methyl 2,4-dichlorophenylacetate 5-(2,4-DICHLORO-BENZYL)-[1,3,4]THIADIAZOL-2-YLAMINE Benzeneacetic acid, 2,4-dichloro-α-ethyl-1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

74 records

New reaction record

HRID 23084As reactantuspto-grants-2005_02

HRID 133369As reactantuspto-grants-2008_06

HRID 174655As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 206644As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 270237As reactantuspto-grants-2008_11

HRID 301536As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 322657As reactantuspto-grants-2001_04

Linked notes

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Basic information