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94-75-7 molecular structure
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2-(2,4-dichlorophenoxy)acetic acid

ChemBase ID: 25664
Molecular Formular: C8H6Cl2O3
Molecular Mass: 221.03744
Monoisotopic Mass: 219.96939941
SMILES and InChIs

SMILES:
c1(cc(ccc1OCC(=O)O)Cl)Cl
Canonical SMILES:
OC(=O)COc1ccc(cc1Cl)Cl
InChI:
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey:
OVSKIKFHRZPJSS-UHFFFAOYSA-N

Cite this record

CBID:25664 http://www.chembase.cn/molecule-25664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,4-dichlorophenoxy)acetic acid
IUPAC Traditional name
rhodia
2,4-dichlorophenoxyacetic acid
Synonyms
2,4-Dichlor-phenoxyessigsäure
2,4-Dichlorophenoxyacetic acid
2,4-D
hedonal
trinoxol
2,4-Dichlorophenoxyacetic acid
2,4-DICHLOROPHENOXYACETIC ACID PRACTICAL GRADE
2,4-D
2,4-DICHLORO PHENOXYACETIC ACID
2-(2,4-Dichlorophenoxy)acetic Acid
Diclordon
Dicopur
Esterone
Fernimine
Foredex 75
(2,4-Dichlorophenoxy)acetic acid
2,4-Dichlorophenoxyacetic acid
2-(2,4-Dichlorophenoxy)acetic acid
2,4-二氯苯氧乙酸
2,4-二氯苯氧乙酸
2,4-二氯苯氧基乙酸
CAS Number
94-75-7
EC Number
202-361-1
MDL Number
MFCD00004300
Beilstein Number
1214242
Merck Index
142796
PubChem SID
24868891
24872604
24894078
24862290
24894121
160988971
PubChem CID
1486
CHEBI ID
28854
CHEMBL
367623
Chemspider ID
1441
KEGG ID
C03664
Wikipedia Title
2,4-Dichlorophenoxyacetic_acid

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.81042  H Acceptors
H Donor LogD (pH = 5.5) -0.13017285 
LogD (pH = 7.4) -0.99157256  Log P 2.5016472 
Molar Refractivity 48.2154 cm3 Polarizability 19.130342 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
900 mg/L in water expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
white to light yellow crystalline expand Show data source
white to yellow powder expand Show data source
Melting Point
135-140 °C expand Show data source
136-140 °C(lit.) expand Show data source
136-140°C expand Show data source
139 - 140.5 °C expand Show data source
139-140.5°C expand Show data source
139-142°C expand Show data source
140.5°C expand Show data source
Boiling Point
160 deg. C at 0.4 mm Hg expand Show data source
160°C (0.4 mm Hg) expand Show data source
160°C/0.4mm expand Show data source
Density
.66 g/cm3 (bulk density) expand Show data source
1.42 expand Show data source
Vapor Pressure
0.4 mmHg ( 160 °C) expand Show data source
ca. 1.1E-7 hPa expand Show data source
Storage Condition
Refrigerator expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
AG6825000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
3345 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
22-37-41-43-52/53 expand Show data source
R:22-36/37/38 expand Show data source
Safety Statements
24/25-26-36/37/39-46-61 expand Show data source
S:36/37 expand Show data source
EU Classification
T7 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H317-H318-H335-H412 expand Show data source
H318-H302-H312-H317-H335-H402-H412 expand Show data source
GHS Precautionary statements
P261-P273-P280-P305 + P351 + P338 expand Show data source
P280-P262-P273-P301+P310-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
≥97.0% (T) expand Show data source
≥98% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
PRACTICAL expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Suitability
plant cell culture tested expand Show data source
Linear Formula
Cl2C6H3OCH2CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02101553 external link
Off-white to tan crystals.
CAUTION: POISONOUS!
Sigma Aldrich - D70724 external link
Packaging
100 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 31518 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45415 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - D435680 external link
Herbicide. Used to increase latex output of old rubber trees.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rowe, V.K., et al.: Am. J. Vet. Res., 15, 622 (1954)
  • • Way, J.M., et al.: Residue Rev., 26, 37 (1954)
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PATENTS

PATENTS

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INTERNET

INTERNET

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