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CAS No.: | 51719-65-4 |
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Name: | 2-(3,5-dichlorophenyl)acetic acid |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H6Cl2O2 |
Molecular Weight: | 205.04 |
Synonyms: | Aceticacid, (3,5-dichlorophenyl)- (6CI);3,5-Dichlorophenylacetic acid;2-(3,5-dichlorophenyl)acetic acid; |
Density: | 1.456 g/cm3 |
Melting Point: | 112-115 °C(Solv: ligroine (8032-32-4)) |
Boiling Point: | 325.2 °C at 760 mmHg |
Flash Point: | 150.5 °C |
PSA: | 37.30000 |
LogP: | 2.62050 |
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The CAS register number of Benzeneacetic acid,3,5-dichloro- is 51719-65-4. It also can be called as 2-(3,5-dichlorophenyl)acetic acid and the systematic name about this chemical is (3,5-dichlorophenyl)acetic acid. The molecular formula about this chemical is C8H6Cl2O2 and the molecular weight is 205.04.
Physical properties about Benzeneacetic acid,3,5-dichloro- are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): -0.57; (4)ACD/BCF (pH 5.5): 1.83; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.29; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 47.15 cm3; (14)Molar Volume: 140.7 cm3; (15)Polarizability: 18.69x10-24cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.456 g/cm3; (18)Flash Point: 150.5 °C; (19)Enthalpy of Vaporization: 59.89 kJ/mol; (20)Boiling Point: 325.2 °C at 760 mmHg; (21)Vapour Pressure: 9.54E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1)CC(=O)O
(2)InChI: InChI=1/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: RERINLRFXYGZEE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(5)Std. InChIKey: RERINLRFXYGZEE-UHFFFAOYSA-N