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CAS No.: | 10236-60-9 |
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Name: | 2,3-Dichlorophenylacetic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H6Cl2O2 |
Molecular Weight: | 205.04 |
Synonyms: | Aceticacid, (2,3-dichlorophenyl)- (6CI,8CI);2,3-Dichlorophenylacetic acid; |
Density: | 1.456 g/cm3 |
Melting Point: | 130-135 ºC |
Boiling Point: | 328 °C at 760 mmHg |
Flash Point: | 152.1 °C |
Solubility: | H2O: 0.4892 mg/mL in water at 25°C |
Appearance: | white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 37.30000 |
LogP: | 2.62050 |
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The Benzeneacetic acid,2,3-dichloro-, with the CAS registry number 10236-60-9, is also known as 2,3-Dichlorophenylacetic acid. It belongs to the product categories of Acids and Derivatives; Aromatic Phenylacetic Acids and Derivatives. This chemical's molecular formula is C8H6Cl2O2 and formula weight is 205.04. What's more, its IUPAC name is 2-(2,3-dichlorophenyl)acetic acid.
Physical properties of Benzeneacetic acid,2,3-dichloro- are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1.23; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.88; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 47.15 cm3; (15)Molar Volume: 140.7 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.456 g/cm3; (18)Flash Point: 152.1 °C; (19)Enthalpy of Vaporization: 60.2 kJ/mol; (20)Boiling Point: 328 °C at 760 mmHg; (21)Vapour Pressure: 7.9E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)CC(=O)O
(2)InChI: InChI=1S/C8H6Cl2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: YWMXEUIQZOQESD-UHFFFAOYSA-N