Name: Methyl 2,4-dichlorophenylacetate
SKU: 55954-23-9

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Basic Information

Molecular Structure:
CAS No.:	55954-23-9
Name:	Methyl 2,4-dichlorophenylacetate
Article Data:	14

Formula:	C₉H₈Cl₂O₂
Molecular Weight:	219.067
Synonyms:	2,4-Dichlorophenylaceticacid methyl ester;Methyl (2,4-dichlorophenyl)acetate;Methyl2-(2,4-dichlorophenyl)acetate;
EINECS:	200-662-2
Density:	1.318 g/cm³
Boiling Point:	272.3 °C at 760 mmHg
Flash Point:	111.5 °C
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	Xi,Xn,N,F
Risk Codes:	22-67-65-62-51/53-48/20-38-11-66-36/38-36
Safety:	24/25-62-61-36/37-33-29-16-9-26
PSA:	26.30000
LogP:	2.70890

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Specification

The Methyl 2,4-dichlorophenylacetate is an organic compound with the formula C₉H₈Cl₂O₂. The systematic name of this chemical is methyl (2,4-dichlorophenyl)acetate. With the CAS registry number 55954-23-9, it is also named as Benzeneacetic acid, 2,4-dichloro-, methyl ester. The product's categories are Acids and Derivatives; MAlphabetic; Alpha Sort; M; Meta - Meth; Volatiles/ Semivolatiles; 8000 Series Solidwaste Methods; EPA; Method 8150/8151; H-MAlphabetic; Meat - Methepa; Pesticides & Metabolites. Besides, it is clear colorless to yellow liquid, which should be stored in a closed cool and dry place.

Physical properties about Methyl 2,4-dichlorophenylacetate are: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 3.17; (3)ACD/LogD (pH 7.4): 3.17; (4)ACD/BCF (pH 5.5): 150.68; (5)ACD/BCF (pH 7.4): 150.68; (6)ACD/KOC (pH 5.5): 1260.84; (7)ACD/KOC (pH 7.4): 1260.84; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 51.99 cm³; (13)Molar Volume: 166.1 cm³; (14)Polarizability: 20.61×10^-24cm³; (15)Surface Tension: 40.8 dyne/cm; (16)Density: 1.318 g/cm³; (17)Flash Point: 111.5 °C; (18)Enthalpy of Vaporization: 51.06 kJ/mol; (19)Boiling Point: 272.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00613 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, harmful if swallowed and may cause lung damage if swallowed. It is danger of serious damage to health by prolonged exposure through inhalation and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Please keep away from sources of ignition - No smoking and take precautionary measures against static discharges. Besides, this chemical is irritating to eyes and skin. It repeated exposure may cause skin dryness or cracking. It has possible risk of impaired fertility. When you are using it, wear suitable protective clothing and gloves, avoid contact with skin and eyes and do not empty into drains. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1CC(=O)OC
(2)InChI: InChI=1/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
(3)InChIKey: SRCVNBFTEARRJY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
(5)Std. InChIKey: SRCVNBFTEARRJY-UHFFFAOYSA-N