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Benzoic acid,3,5-dichloro-4-hydroxy-, ethyl ester (17302-82-8)

Identification
Name:Benzoic acid,3,5-dichloro-4-hydroxy-, ethyl ester
Synonyms:3,5-Dichloro-4-hydroxybenzoicacid ethyl ester;Ethyl 3,5-dichloro-4-hydroxybenzoate;Ethyl 4-hydroxy-3,5-dichlorobenzoate;NSC 74473;
CAS:17302-82-8
EINECS: 241-331-2
Molecular Formula: C9H8Cl2O3
Molecular Weight: 235.06
InChI: InChI=1/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
Molecular Structure: (C9H8Cl2O3) 3,5-Dichloro-4-hydroxybenzoicacid ethyl ester;Ethyl 3,5-dichloro-4-hydroxybenzoate;Ethyl 4-hydroxy-3...
Properties
Density:1.414 g/cm3
Refractive index:1.567
Appearance:beige powder
Specification:

The Ethyl 3,5-dichloro-4-hydroxybenzoate with its cas register number is 17302-82-8. It also can be called as Benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester and the IUPAC Name about this chemical is ethyl 3,5-dichloro-4-hydroxybenzoate. It belongs to the following product categories, such as Aromatic Esters, Phenyls & Phenyl-Het, Esters, Phenyls & Phenyl-Het and so on. This chemical is irritating to eyes, respiratory system and skin. When you are using it, please avoid contact with skin and eyes.

Physical properties about Ethyl 3,5-dichloro-4-hydroxybenzoate are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 157.96; (5)ACD/BCF (pH 7.4): 3.87; (6)ACD/KOC (pH 5.5): 1044.96; (7)ACD/KOC (pH 7.4): 25.6; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 54.33 cm3; (14)Molar Volume: 166.1 cm3; (15)Polarizability: 21.53x10-24cm3; (16)Surface Tension: 48.5 dyne/cm; (17)Enthalpy of Vaporization: 58.02 kJ/mol; (18)Vapour Pressure: 0.000219 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl
(2)InChI: InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
(3)InChIKey: WMKNGSJJEMFQOT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00366,

Safety Data
Hazard Symbols Xi: Irritant