4-Butoxy-3-chloro-5-methoxy-benzoate supplier

Name
4-BUTOXY-3-CHLORO-5-METHOXYBENZOIC ACID
EINECS
CAS No. 955-36-2
Density 1.223±0.06 g/cm3(Predicted)
Solubility
Melting Point 109-110 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
Formula C₁₂H₁₄ClO₄
Boiling Point 367.7 °C at 760 mmHg
Molecular Weight 258.702
Flash Point 176.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chlor-4-butyloxy-3-methoxy-benzoesaeure;3-Methoxy-4-butoxy-5-chlor-benzoesaeure;
PSA 55.76000
LogP 3.22570

4-Butoxy-3-chloro-5-methoxy-benzoate Specification

The 4-Butoxy-3-chloro-5-methoxy-benzoate is an organic compound with the formula C₁₂H₁₄ClO₄. With the CAS registry number 955-36-2, the IUPAC name of this chemical is 4-butoxy-3-chloro-5-methoxybenzoate.

Physical properties about 4-Butoxy-3-chloro-5-methoxy-benzoate are: (1)ACD/LogP: 4.77; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 77.07; (5)ACD/BCF (pH 7.4): 2.75; (6)ACD/KOC (pH 5.5): 290.17; (7)ACD/KOC (pH 7.4): 10.35; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.76 Å²; (12)Flash Point: 176.2 °C; (13)Enthalpy of Vaporization: 64.8 kJ/mol; (14)Boiling Point: 367.7 °C at 760 mmHg; (15)Vapour Pressure: 4.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(OC)c1OCCCC)C([O-])=O
(2)InChI: InChI=1/C12H15ClO4/c1-3-4-5-17-11-9(13)6-8(12(14)15)7-10(11)16-2/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1
(3)InChIKey: GEFFQWTVLBEQKZ-REWHXWOFAY
(4)Std. InChI: InChI=1S/C12H15ClO4/c1-3-4-5-17-11-9(13)6-8(12(14)15)7-10(11)16-2/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1
(5)Std. InChIKey: GEFFQWTVLBEQKZ-UHFFFAOYSA-M

Product Name

4-BUTOXY-3-CHLORO-5-METHOXYBENZOIC ACID

4-Butoxy-3-chloro-5-methoxy-benzoate Specification

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