Ethyl 3,5-dichloro-4-hydroxybenzoate supplier

Name
ETHYL 3,5-DICHLORO-4-HYDROXYBENZOATE
EINECS 241-331-2
CAS No. 17302-82-8
Article Data4
CAS DataBase
Density 1.414 g/cm³
Solubility
Melting Point 98-102 °C
Formula C₉H₈Cl₂O₃
Boiling Point 316.6 °C at 760 mmHg
Molecular Weight 235.067
Flash Point 145.3 °C
Transport Information
Appearance beige powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-Dichloro-4-hydroxybenzoicacid ethyl ester;Ethyl 3,5-dichloro-4-hydroxybenzoate;Ethyl 4-hydroxy-3,5-dichlorobenzoate;NSC 74473;
PSA 46.53000
LogP 2.87570

Ethyl 3,5-dichloro-4-hydroxybenzoate 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,

Product Name

ETHYL 3,5-DICHLORO-4-HYDROXYBENZOATE

Ethyl 3,5-dichloro-4-hydroxybenzoate Specification

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