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15165-67-0 molecular structure
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2-(2,4-dichlorophenoxy)propanoic acid

ChemBase ID: 21697
Molecular Formular: C9H8Cl2O3
Molecular Mass: 235.06402
Monoisotopic Mass: 233.98504948
SMILES and InChIs

SMILES:
O(c1c(cc(cc1)Cl)Cl)C(C(=O)O)C
Canonical SMILES:
OC(=O)C(Oc1ccc(cc1Cl)Cl)C
InChI:
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKey:
MZHCENGPTKEIGP-UHFFFAOYSA-N

Cite this record

CBID:21697 http://www.chembase.cn/molecule-21697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,4-dichlorophenoxy)propanoic acid
IUPAC Traditional name
(+,-)-dichlorprop
dichlorprop
Synonyms
2-(2,4-Dichlorophenoxy)propionic acid solution
Dichloroprop solution
Dichloroprop
2-(2,4-Dichlorophenoxy)propionic acid
2,4-DP
Dichlorprop
2-(2,4-Dichlorophenoxy)propionic acid
Dichlorprop
2-(2,4-Dichlorophenoxy)propanoic acid
2-(2,4-Dichlorophenoxy)propionic acid
Dichlorprop
2,4-滴丙酸
2-(2,4-二氯苯氧基)丙酸 溶液
二氯丙烯 溶液
2-(2,4-二氯苯氧基)丙酸
2-(2,4-二氯苯氧基)丙酸
2,4-滴丙酸
CAS Number
15165-67-0
120-36-5
EC Number
200-835-2
204-390-5
MDL Number
MFCD00002645
Beilstein Number
2213812
6568822
Merck Index
143078
PubChem SID
24899232
24855840
24868574
160985004
24869465
PubChem CID
8427
CHEMBL
573221
Chemspider ID
8120
KEGG ID
C11020
Wikipedia Title
Dichlorprop

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.9482977  H Acceptors
H Donor LogD (pH = 5.5) 0.5609533 
LogD (pH = 7.4) -0.41000497  Log P 3.0704114 
Molar Refractivity 52.7093 cm3 Polarizability 20.943651 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
720 mg/L at 20°C (R-isomer) in water expand Show data source
Apperance
white solid expand Show data source
Melting Point
110-112 °C(lit.) expand Show data source
112-116°C expand Show data source
116-120°C (''R''-isomer) expand Show data source
Flash Point
2 °C expand Show data source
35.6 °F expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
UF1050000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1648 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
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-20/21/22-36 expand Show data source
21/22-38-41 expand Show data source
R21/22 R38 R41 expand Show data source
Safety Statements
16-36/37 expand Show data source
26-36/37 expand Show data source
S2 S26 S36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H312-H319-H332 expand Show data source
H302-H312-H315-H318 expand Show data source
H318-H315-H302-H312 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338 expand Show data source
P280-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P310-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1648 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Concentration
100 ng/μL in acetonitrile expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 250 mg expand Show data source
Quality
racemate expand Show data source
Linear Formula
Cl2C6H3OCH(CH3)CO2H expand Show data source
Empirical Formula (Hill Notation)
C9H8Cl2O3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45846 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45436 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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