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93-72-1 molecular structure
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2-(2,4,5-trichlorophenoxy)propanoic acid

ChemBase ID: 102803
Molecular Formular: C9H7Cl3O3
Molecular Mass: 269.50908
Monoisotopic Mass: 267.94607712
SMILES and InChIs

SMILES:
CC(Oc1c(Cl)cc(Cl)c(Cl)c1)C(=O)O
Canonical SMILES:
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl
InChI:
InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
InChIKey:
ZLSWBLPERHFHIS-UHFFFAOYSA-N

Cite this record

CBID:102803 http://www.chembase.cn/molecule-102803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,4,5-trichlorophenoxy)propanoic acid
IUPAC Traditional name
double strength
Synonyms
2-(2,4,5-Trichlorophenoxy)propionic acid
α-(2,4,5-TRICHLOROPHENOXY) PROPIONIC ACID
α-(2,4,5-TRICHLOROPHENOXY)PROPIONIC ACID
Silvex
Fenoprop
2-(2,4,5-Trichlorophenoxy)propionic acid
2,4,5-TP
Silvex®
Fenoprop
Silvex®
2,4,5-涕丙酸
2-(2,4,5-三氯苯氧基)丙酸
2-(2,4,5-三氯苯氧基)丙酸
CAS Number
93-72-1
EC Number
202-271-2
MDL Number
MFCD00002646
Beilstein Number
1985768
PubChem SID
24899233
24872640
24889474
162089797
24869259
PubChem CID
7158
CHEMBL
460296
Chemspider ID
6891
KEGG ID
C14532
Wikipedia Title
Fenoprop

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.6955798  H Acceptors
H Donor LogD (pH = 5.5) 0.94429725 
LogD (pH = 7.4) 0.17307991  Log P 3.6744561 
Molar Refractivity 57.5141 cm3 Polarizability 22.941181 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)
Apperance
White powder expand Show data source
Melting Point
175-180 °C expand Show data source
176-180°C expand Show data source
181.6 °C expand Show data source
181.6 deg. C expand Show data source
Density
1.2085 g/cm3 at 20 °C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
UF8225000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
UN3077 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
German water hazard class
3 expand Show data source
Hazard Class
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
22-38-50/53 expand Show data source
R:22-38-50/53 expand Show data source
Safety Statements
37-60-61 expand Show data source
S:37-60-61 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H410 expand Show data source
H400-H410-H302-H315 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
P280-P302+P352-P321-P362-P301+P312-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
≥97.0% (T) expand Show data source
96% expand Show data source
97% expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
ampule of 250 mg expand Show data source
Empirical Formula (Hill Notation)
C9H7Cl3O3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05219240 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02103108 external link
Crystalline
Purity: 97%
Sigma Aldrich - 161861 external link
Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.
Sigma Aldrich - 45691 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.
Sigma Aldrich - 91350 external link
Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.
Sigma Aldrich - PS47 external link
Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.
Sigma Aldrich - 49117 external link
Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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